SCHEMBL9728591

SCHEMBL9728591

Cc1ccc(C(=O)Nc2nc(=O)c3cc(C)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
PKM P14618 5/20 0.59
KLF5 Q13887 2/20 0.59
OPRK1 P41145 1/20 0.59
ADORA1 P30542 1/20 0.51
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MAOB P27338 2/20 0.44
ADORA2A P29274 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SCD O00767 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APEX1 P27695 1/20 0.42

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
SCHEMBL9728432 0.92 NPC1 (0.56) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728922 0.87 NPC1 (0.70) NPC1RAB9APKMKLF5OPRK1
SCHEMBL24169384 0.84 ESR1 (0.56) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728665 0.79 NPC1 (0.57) NPC1RAB9APKMKLF5OPRK1
SCHEMBL11700747 0.76 NPC1 (0.69) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728941 0.75 NPC1 (0.67) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728547 0.75 RAB9A (0.58) NPC1RAB9APKMKLF5OPRK1
SCHEMBL11706816 0.74 NPC1 (1.00) NPC1RAB9APKMKLF5OPRK1
SCHEMBL30387611 0.74 NPC1 (0.70) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9729182 0.74 NPC1 (0.70) NPC1RAB9APKMKLF5OPRK1

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
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed