SCHEMBL7837599

SCHEMBL7837599

COc1ccc(Cc2cnccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
NOD2 Q9HC29 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 1/20 0.44
CYP17A1 P05093 1/20 0.43
FTO Q9C0B1 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC5A1 P13866 3/20 0.41
SLC5A2 P31639 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 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
SCHEMBL27585500 0.82 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP2C9ALDH1A1
SCHEMBL24768169 0.78 LTA4H (0.59) CYP11B1CYP11B2CYP19A1CYP2C9SMN1; SMN2
SCHEMBL28131051 0.76 LTA4H (0.60) SMN1; SMN2ALDH1A1LMNAKDM4ELTA4H
SCHEMBL9869024 0.76 CYP11B1 (0.49) CYP11B1CYP11B2NOD2CYP19A1CYP2C9
SCHEMBL27924299 0.75 CYP17A1 (0.67) CYP19A1CYP2C9SMN1; SMN2ALDH1A1LMNA
SCHEMBL29670400 0.75 FTO (0.48) CYP11B1CYP11B2NOD2CYP19A1CYP2C9
SCHEMBL9869425 0.75 CYP11B1 (0.48) CYP11B1CYP11B2NOD2CYP19A1CYP2C9
SCHEMBL3840431 0.73 LTA4H (0.50) SMN1; SMN2ALDH1A1LMNALTA4HSLC5A1
SCHEMBL15325999 0.72 SLC5A2 (0.51) SMN1; SMN2ALDH1A1LMNALTA4HSLC5A1
SCHEMBL30416680 0.71 CYP11B1 (0.53) CYP11B1CYP11B2CYP2C9KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904080-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-01 EP disclosed
EP-0904080-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859015-A N-heterocyclic piperazinyl and H-heterocyclic piperazinonyl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997036592-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed