SCHEMBL4453153

SCHEMBL4453153

C=CCc1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
LOXL2 Q9Y4K0 6/20 0.48
XDH P47989 1/20 0.46
ABAT P80404 1/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH2 P05091 1/20 0.45
GAA P10253 1/20 0.45
GABRA1 P14867 1/20 0.45
AKR1B1 P15121 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7106966 0.97 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53ALOX15TSHR
Bromide SCHEMBL7833357 0.97 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL9062160 0.87 ST14 (0.61) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL173301 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4TP53ALOX15TSHR
Bromide SCHEMBL8645583 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53ALOX15TSHR
Phosphine SCHEMBL28908227 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53ALOX15TSHR
Water SCHEMBL29179560 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL6257399 0.81 PNMT (0.48) ALDH1A1CYP3A4SMN1; SMN2LOXL2XDH
Hydrogen Peroxide SCHEMBL5496256 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4TP53ALOX15TSHR
Hydrogen Peroxide SCHEMBL7816450 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4TP53ALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674080-A Synthesis method of panobinostat 南京卡文迪许生物工程技术有限公司 2017-05-17 CN claimed
CN-115152037-A 2D perovskite tandem photovoltaic device 立方光伏股份有限公司 2022-10-04 CN disclosed
CN-115023819-A Cross-linked surface coatings and interfacial layers for perovskite material photovoltaic devices 立方光伏股份有限公司 2022-09-06 CN disclosed
CN-114981988-A Metal oxide nanoparticle electron transport layers in perovskite semiconductor devices 立方光伏股份有限公司 2022-08-30 CN disclosed
CN-114981269-A Non-fullerene acceptors (NFAS) as interfacial layers in perovskite semiconductor devices 立方光伏股份有限公司 2022-08-30 CN disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
CN-113272312-A Enhanced perovskite materials for photovoltaic devices 亨特钙钛矿技术有限责任公司 2021-08-17 CN disclosed
CN-113272311-A Enhanced perovskite materials for photovoltaic devices 亨特钙钛矿技术有限责任公司 2021-08-17 CN disclosed
EP-1590005-B1 CONJUGATES OF ENANTIOMER-PURE (4S,8S)- AND (4R,8R)-4-P-BENZYL-8-METHYL-3,6,9-TRIAZA- SP 3 /SP N, SP 6 /SP N, SP 9 /SP N-TRICARBOXYMETHYL-1,11-UNDECANOIC ACID WITH BIOMOLECULES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6124070-A STABILITY UNDER HIGH HUMIDITY AND AT LOW TEMPERATURE-LOW HUMIDITY, FINE PARTICLE SIZE AND A SHARP PARTICLE DIAMETER DISTRIBUTION; COMPRISING A BINDER RESIN, A COLORANT, A METHANOL-SOLUBLE RESIN HAVING ORGANIC ACID GROUPS CANON KABUSHIKI KAISHA (JP) 2000-09-26 US disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
CN-1036993-C Aromatase inhibiting 4(5)-imidazoles FARMOS OY (FI) 1998-01-14 CN disclosed
US-5677100-A SHELL OF HYBRID RESIN OF POLYESTER, POLYESTER-POLYAMIDE OR POLYAMIDE AND A VINYL RESIN KAO CORPORATION (JP) 1997-10-14 US disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 WO disclosed
US-5241041-A Reacting an aromatic polyimide and ethylenically unsaturated amine OCCIDENTAL CHEMICAL CORPORATION (US) 1993-08-31 US disclosed
EP-0547555-A2 Photocrosslinkable polyimide ammonia salts OCCIDENTAL CHEMICAL CORPORATION (US) 1993-06-23 EP disclosed
CN-1033995-A 4 (5)-imidazoles that suppress aromatase enzyme FARMOS OY (FI) 1989-07-19 CN disclosed