SCHEMBL7900671

SCHEMBL7900671

c1cncc(C2Cc3ccccc3N2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46
CHRNA7 P36544 4/20 0.46
SIRT6 Q8N6T7 1/20 0.46
CYP2A6 P11509 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
AR P10275 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
SCHEMBL16585796 0.84 CHRNB2 (0.51) CHRNB2CHRNA4MEN1KMT2AMAPK1
SCHEMBL29779937 0.82 PRCP (0.55) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL4978935 0.82 PRCP (0.55) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL7903182 0.81 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2AMAPK1
SCHEMBL7901471 0.81 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2AMAPK1
SCHEMBL26703813 0.80 MEN1 (0.44) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL3890285 0.78 TSHR (0.50) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL22871239 0.78 PRKCZ (0.39) MAPTARGAA
SCHEMBL29746385 0.78 CYP11B2 (0.47) CHRNB2CHRNA4MEN1KMT2AMAPK1
SCHEMBL26613583 0.78 CYP11B2 (0.47) CHRNB2CHRNA4MEN1KMT2AMAPK1

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed