SCHEMBL12735002

SCHEMBL12735002

CCc1ccc(-c2cnc(CC)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
UCHL1 P09936 1/20 0.42
TP53 P04637 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 1/20 0.37
NOTUM Q6P988 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP2A6 P11509 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL17411218 0.83 NPSR1 (0.43) METAP2EGLN1NISCHNPC1RAB9A
SCHEMBL12514799 0.81 NPC1 (0.50) METAP2TP53NPC1RAB9ASMN1; SMN2
SCHEMBL12514795 0.81 METAP2 (0.43) METAP2UCHL1TP53EGLN1NISCH
SCHEMBL9613254 0.81 MAPT (0.47) METAP2TP53EGLN1NISCHNPC1
SCHEMBL16542181 0.81 IDO1 (0.34) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16542138 0.80 UCHL1 (0.34) UCHL1TP53EGLN1NPC1RAB9A
SCHEMBL12092479 0.80 RAB9A (0.54) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2776957 0.78 TP53 (0.56) METAP2UCHL1TP53NISCHSMN1; SMN2
SCHEMBL1702558 0.78 TP53 (0.56) METAP2UCHL1TP53NISCHSMN1; SMN2
SCHEMBL10272489 0.78 MCHR1 (0.47) NPC1RAB9ASMN1; SMN2CYP17A1

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
US-8974693-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2015-03-10 US disclosed
US-8956550-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2015-02-17 US disclosed
US-8956549-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2015-02-17 US disclosed
US-8551358-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-20110095229-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-28 US disclosed