SCHEMBL9158294

SCHEMBL9158294

CCCCCCc1ccc(-c2ccc(CCC3CCC(CCCCCC)CC3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
NPC1 O15118 7/20 0.62
MAPT P10636 5/20 0.62
STAT3 P40763 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL10558448 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9153709 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9153631 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9159558 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9154929 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9161241 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9158288 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9159826 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9161236 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9160231 1.00 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473208-B1 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0473208-A2 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GmbH (DE) 1992-03-04 EP disclosed
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed
US-4879060-A 2-phenylpyridine derivatives and liquid crystal compositions including same SEIKO EPSON KABUSHIKI KAISHA (JP) 1989-11-07 US disclosed
US-4684220-A 2-phenylpyridine derivatives and liquid crystal compositions including same SEIKO EPSON KABUSHIKI KAISHA (JP) 1987-08-04 US disclosed