SCHEMBL2401004

SCHEMBL2401004

CCC(O)Cn1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.46
FOLH1 Q04609 1/20 0.42
CYP1A1 P04798 2/20 0.40

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
SCHEMBL12020414 1.00 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL13108584 1.00 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
Hydrochloric Acid SCHEMBL8902099 0.98 CYP19A1 (0.45) CYP19A1FOLH1CYP1A1
SCHEMBL11898438 0.81 CYP19A1 (0.44) CYP19A1FOLH1CYP1A1
SCHEMBL5334246 0.81 DPP4 (0.43) CYP19A1FOLH1CYP1A1
SCHEMBL9566971 0.80 ADA (0.43) CYP19A1FOLH1
SCHEMBL4478797 0.80 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL4481726 0.80 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL13925693 0.79 CYP19A1 (0.43) CYP19A1FOLH1CYP1A1
SCHEMBL2571841 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765595-A Process for preparing voriconazole HANMI PHARM IND CO LTD 2010-06-30 CN claimed
EP-2114904-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-11-11 EP claimed
WO-2008082198-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-07-10 WO claimed
EP-0751943-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-01-08 EP claimed
WO-1995025107-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1995-09-21 WO claimed
EP-0473387-A2 Anti-fungal triazole derivatives, their preparation and uses Sankyo Company Limited (JP) 1992-03-04 EP claimed
EP-0025949-B1 ACYLATED TRIAZOLYL-GAMMA-FLUOROPINACOLYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1983-07-20 EP claimed
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 WO disclosed
EP-3525588-A1 4-SUBSTITUTED PHENYLAMINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI Industries Ltd (IN) 2019-08-21 EP disclosed
EP-3490363-A1 FORMULATION COMPRISING A BENEFICIAL P. BILAII STRAIN AND TALC FOR USE IN SEED TREATMENT Bayer CropScience Aktiengesellschaft (DE) 2019-06-05 EP disclosed
WO-2018149816-A1 COMPOSITIONS FOR APPLICATION TO AERIAL PARTS OF PLANTS EXOSECT LIMITED (GB) 2018-08-23 WO disclosed
WO-2018069841-A1 4-SUBSTITUTED PHENYLAMINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2018-04-19 WO disclosed
WO-2018019937-A1 FORMULATION COMPRISING A BENEFICIAL P. BILAII STRAIN AND TALC FOR USE IN SEED TREATMENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 WO disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001079196-A2 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-10-25 WO disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed
WO-1999045008-A1 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1999-09-10 WO disclosed
WO-1997001552-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-01-16 WO disclosed
CN-1036759-A Triazole derivative, its preparation method and its purposes as mycocide SANKYO CO (JP) 1989-11-01 CN disclosed
US-4359470-A Acylated triazolyl-γ-fluoropinacolyl derivatives and their use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed