SCHEMBL8178162

SCHEMBL8178162

OCc1ccc(-c2cccs2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
FYN P06241 5/20 0.52
HPGDS O60760 4/20 0.51
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
MAPK10 P53779 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10160852 0.83 CYP11B1 (0.56) CYP11B1CYP11B2FYNHPGDSKDM4E
Hydrochloric Acid SCHEMBL15940913 0.81 LTA4H (0.56) CYP11B1CYP11B2FYNHPGDSKDM4E
SCHEMBL10722497 0.80 CYP11B1 (0.53) CYP11B1CYP11B2FYNHPGDSKDM4E
SCHEMBL10130808 0.79 CYP11B1 (0.52) CYP11B1CYP11B2FYNHPGDSKDM4E
SCHEMBL13514078 0.79 CYP11B1 (0.52) CYP11B1CYP11B2FYNHPGDSKDM4E
SCHEMBL485305 0.79 FYN (0.45) CYP11B1CYP11B2FYNHPGDSKDM4E
SCHEMBL10726790 0.78 RAB9A (0.52) CYP11B1CYP11B2HPGDSKDM4EALDH1A1
SCHEMBL29258492 0.77 KDM1A (0.43) CYP11B1CYP11B2FYNMAPTNPC1
SCHEMBL10723314 0.76 RAB9A (0.52) CYP11B1CYP11B2HPGDSKDM4EALDH1A1
SCHEMBL12727899 0.76 KDM4E (0.52) CYP11B1CYP11B2FYNHPGDSKDM4E

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
US-6051574-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-04-18 US disclosed
US-5883105-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-03-16 US disclosed
EP-0891357-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036898-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed