SCHEMBL9157693

SCHEMBL9157693

CCCCCc1ccc(-c2ccc(CCc3ccc(F)nc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 4/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 2/20 0.49

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
SCHEMBL9152788 0.95 RAB9A (0.53) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9154167 0.95 RAB9A (0.49) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9154233 0.93 MAPT (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9766704 0.92 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9159149 0.92 MAPT (0.53) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9155593 0.92 MAPT (0.53) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL10721748 0.92 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9153776 0.90 MAPT (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9157460 0.90 MAPT (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9161133 0.90 MAPT (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 EP disclosed
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US disclosed
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed