SCHEMBL9159149

SCHEMBL9159149

CCCCCc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RARB P10826 7/20 0.49
TSHR P16473 1/20 0.49
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
MTOR P42345 1/20 0.47
NPC1 O15118 1/20 0.47
STAT3 P40763 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9155593 1.00 MAPT (0.53) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9161133 0.98 MAPT (0.55) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9157460 0.98 MAPT (0.55) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9153776 0.98 MAPT (0.55) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9152381 0.98 MAPT (0.55) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9160174 0.95 RARB (0.47) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9161126 0.95 RARB (0.47) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9157693 0.92 RAB9A (0.52) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9766634 0.90 MAPT (0.48) MAPTRAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL9158742 0.88 CYP2A6 (0.44) MAPTRAB9AHSD17B10ALDH1A1KDM4E

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
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed