SCHEMBL8091720

SCHEMBL8091720

Cc1ccc(-c2nc3ccccn3c2CC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.49
KCNK3 O14649 4/20 0.48
KCNK9 Q9NPC2 4/20 0.48
DPP4 P27487 1/20 0.48
MAPT P10636 2/20 0.48
ADORA1 P30542 1/20 0.47
TP53 P04637 1/20 0.46
SLC2A1 P11166 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
SCHEMBL1430434 0.86 KDM4E (0.64) NPC1RAB9AKDM4EPOLBHTT
SCHEMBL2775807 0.83 GABRA1 (0.57) ALDH1A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL18978250 0.83 NPC1 (0.59) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1691474 0.82 ALDH1A1 (0.58) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL9999613 0.82 DPP4 (0.66) NPC1RAB9AALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL1430695 0.81 NPC1 (0.57) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL28372805 0.80 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL9498700 0.79 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL5566700 0.78 ALDH1A1 (0.65) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL28615473 0.77 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007995-A1 PROCESS FOR PREPARING ZOLPIDEM AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2009-01-15 WO disclosed