SCHEMBL7899671

SCHEMBL7899671

CC1c2ccccc2NC1c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 2/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
KIF11 P52732 1/20 0.42
PARP1 P09874 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7898288 0.80 KIF11 (0.39) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL7891188 0.78 PARP1 (0.42) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL7903335 0.77 MAPT (0.38) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL7898341 0.73 KDM4E (0.40) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL7899991 0.72 CHRNB2 (0.35) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL7896605 0.72 MAPT (0.39) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL17916263 0.71 NLRP3 (0.45) KDM4EMAPK1MEN1MAPTKMT2A
SCHEMBL18269674 0.69 HTR5A (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL18324164 0.69 HTR5A (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL7571638 0.69 HTR5A (0.41) KDM4EMEN1MAPTKMT2AALDH1A1

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