SCHEMBL7901769

SCHEMBL7901769

Cc1cccc2c1CC(c1cccnc1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46
CHRNB2 P17787 8/20 0.45
CHRNA4 P43681 8/20 0.45
CHRNA7 P36544 7/20 0.42
LRRK2 Q5S007 1/20 0.42
CYP2A6 P11509 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL7898965 0.82 MEN1 (0.46) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7896803 0.76 CYP2C9 (0.40) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7900671 0.75 CHRNB2 (0.50) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7903182 0.73 CHRNB2 (0.45) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL156842 0.71 CHRNB2 (0.56) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7898968 0.69 CHRNB2 (0.46) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL6986386 0.69 CHRNB2 (0.46) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL9336652 0.69 CREBBP (0.51) MEN1KMT2ARAB9AALDH1A1
SCHEMBL7901471 0.68 CHRNB2 (0.45) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL18689814 0.67 CREBBP (0.39) MEN1KMT2AALDH1A1LMNA

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