SCHEMBL8123788

SCHEMBL8123788

O=[N+]([O-])c1ccc2nccc(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.63
EGFR P00533 6/20 0.58
CA9 Q16790 1/20 0.56
USP2 O75604 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTK6 Q13882 3/20 0.50
ARNT P27540 1/20 0.50
EPAS1 Q99814 1/20 0.50
MAPK14 Q16539 1/20 0.50
IGF1R P08069 2/20 0.49

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
SCHEMBL8122583 0.86 EGFR (0.68) EGFRUSP2MAPTKMT2ACCNC
SCHEMBL7620689 0.86 EGFR (0.58) FADS1EGFRCA9USP2MAPT
SCHEMBL19633804 0.83 FADS1 (0.56) FADS1EGFRCA9MAPTKMT2A
SCHEMBL7619895 0.83 EGFR (0.58) FADS1EGFRCA9USP2MAPT
SCHEMBL9069952 0.83 GAK (0.63) EGFRUSP2MAPTKMT2ACCNC
SCHEMBL7624054 0.82 MAPT (0.58) EGFRUSP2MAPTKMT2ACCNC
SCHEMBL8871973 0.81 EGFR (0.83) FADS1EGFRMAPTKMT2AKDM4E
SCHEMBL6071727 0.81 PTK6 (0.50) FADS1EGFRCA9PTK6ARNT
SCHEMBL7617075 0.79 MAPT (0.63) EGFRUSP2MAPTKMT2ACCNC
SCHEMBL15614056 0.79 FADS1 (0.71) FADS1EGFRCA9PTK6MAPKAPK2

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-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 WO disclosed