SCHEMBL7119630

SCHEMBL7119630

N#Cc1nccc([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
CTSB P07858 3/20 0.39
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
PIN1 Q13526 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7053367 0.77 ASPH (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27467197 0.76 KMT2A (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12466650 0.74 TXNRD1 (0.40) NPC1RAB9AMAPTCTSBTLR9
SCHEMBL16519973 0.73 TDP1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27669225 0.71 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5087943 0.71 VCAM1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1917135 0.71 MEN1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL126343 0.71 PDE10A (0.51) MEN1KMT2ARAB9AMAPTCTSB
SCHEMBL30832623 0.71 PDE10A (0.51) MEN1KMT2ARAB9AMAPTCTSB
SCHEMBL27944821 0.70 MEN1 (0.43) MEN1KMT2ANPC1RAB9AMAPT

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-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 WO disclosed