SCHEMBL1737609

SCHEMBL1737609

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(CC#N)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MAPT P10636 6/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HTT P42858 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 3/20 0.34
TSHR P16473 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
Hydrochloric Acid SCHEMBL1736950 0.99 KDM4E (0.35) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1738005 0.90 MAPT (0.38) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL3595156 0.89 GRIN2D (0.42) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1737137 0.89 MAPT (0.37) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1739799 0.89 MAPT (0.37) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1737155 0.88 ALDH1A1 (0.37) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1736843 0.88 MAPT (0.37) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1738725 0.88 MAPT (0.38) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1736624 0.87 MAPT (0.38) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1736974 0.87 EHMT2 (0.36) KDM4EMAPTMAPK1POLBNR2F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed