SCHEMBL515529

SCHEMBL515529

O=CNc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.45
TGM2 P21980 2/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP2A6 P11509 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT1 P42224 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL469386 0.86 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL3893966 0.82 CYP2D6 (0.44) ALDH1A1LMNATGM2F13A1TGM1
SCHEMBL19946503 0.78 APP (0.56) CA1CA2MAOAMAOBCA12
SCHEMBL9472659 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2A
SCHEMBL2383778 0.75 IDO1 (0.45) ALDH1A1LMNATGM2F13A1TGM1
SCHEMBL3083947 0.74 CA1 (0.43) ALDH1A1LMNATGM2F13A1TGM1
SCHEMBL428217 0.74 ALDH1A1 (0.56) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL840514 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8358411 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4457780 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344283-A Trifluoromethyl unit-containing substituted 2-piperidone compound and synthesis method thereof 西南交通大学 2024-07-16 CN claimed
CN-117924207-A Epoxy resin flexible film with high glass transition temperature 中国科学院深圳先进技术研究院 2024-04-26 CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-4734971-A2 DRUG TO TREAT STIMULANT ADDICTION Single Dose Therapeutics, Inc. (US) 2026-05-06 EP disclosed
CN-119955072-A Carbazole and carbene iridium difunctional super-crosslinked porous organic polymer and preparation method and application thereof 浙江工业大学 2025-05-09 CN disclosed
WO-2025040956-A2 DRUG TO TREAT STIMULANT ADDICTION RAUTIOLA DAVIN (US) 2025-02-27 WO disclosed
EP-4466071-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) Redx Pharma Limited (GB) 2024-11-27 EP disclosed
CN-118344283-A Trifluoromethyl unit-containing substituted 2-piperidone compound and synthesis method thereof 西南交通大学 2024-07-16 CN disclosed
CN-117924207-A Epoxy resin flexible film with high glass transition temperature 中国科学院深圳先进技术研究院 2024-04-26 CN disclosed
EP-0003259-A1 N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US disclosed