SCHEMBL7972344

SCHEMBL7972344

Cn1nc(-c2ccc(-c3ccccc3N)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GUSB P08236 1/20 0.35
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34

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
SCHEMBL7973528 0.89 CHEK2 (0.42) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7970044 0.89 SCD (0.43) NPC1RAB9AALDH1A1PKMGUSB
SCHEMBL7972135 0.88 PDE10A (0.37) SMN1; SMN2NPC1RAB9AMAPTHSD17B10
SCHEMBL7971018 0.88 HSD17B10 (0.37) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL7973860 0.87 CHEK2 (0.38)
SCHEMBL7971397 0.87 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL10139983 0.87 PDE10A (0.40) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL7975958 0.87 PDE10A (0.40) GUSBF2F10PLGPLAU
SCHEMBL7970581 0.86 F9 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL20307843 0.86 NPC1 (0.34) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed