SCHEMBL771716

SCHEMBL771716

N#Cc1ccc(Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 1.00
CYP11B2 P19099 10/20 1.00
CYP19A1 P11511 9/20 1.00
CYP2A6 P11509 1/20 0.64
CYP2B6 P20813 1/20 0.64
TBXAS1 P24557 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
QPCT Q16769 1/20 0.61
CYP4Z1 Q86W10 1/20 0.61
QPCTL Q9NXS2 1/20 0.61
CYP17A1 P05093 1/20 0.58

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 SCHEMBL8307735 0.98 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrazine SCHEMBL28019549 0.97 CYP11B1 (0.94) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Trifluoroacetic Acid SCHEMBL8307090 0.86 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL1024261 0.85 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2728635 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL1775141 0.83 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL24732609 0.81 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL11475222 0.81 CYP19A1 (0.68) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL10445346 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10946165 0.80 CYP19A1 (0.66) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844529-A Two functionalized ligands containing triazole heterocyclic compound and synthesis method thereof UNIV QILU TECHNOLOGY 2015-08-19 CN claimed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 US claimed
US-20250361338-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION MICHELIN & CIE (FR) 2025-11-27 US disclosed
CN-119343386-A Synthesis of polyethylene or copolymer of ethylene and 1, 3-diene having terminal ketone function 米其林集团总公司 2025-01-21 CN disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
WO-2023237381-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-12-14 WO disclosed
CN-110799500-B Degradable imidazolium oligomers and polymers for antimicrobial applications 新加坡科技研究局 2023-10-03 CN disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 EP disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
WO-1994013645-A1 NOVEL SELECTIVE AROMATASE INHIBITING COMPOUNDS Orion-Yhtymä Oy (FI) 1994-06-23 WO disclosed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 EP disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 US disclosed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 US disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed