SCHEMBL8132884

SCHEMBL8132884

Cc1nn(Cc2ccccc2)c2ccc(N)cc12.Cc1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.60
ACHE P22303 4/20 0.60
CNR1 P21554 3/20 0.60
PLA2G2A P14555 1/20 0.49
LMNA P02545 2/20 0.48
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3318882 0.93 CNR2 (0.67) CNR2ACHECNR1PLA2G2ALMNA
SCHEMBL3322212 0.87 CNR1 (0.64) CNR2ACHECNR1PLA2G2AL3MBTL1
SCHEMBL1163283 0.80 CNR2 (0.56) CNR2ACHECNR1MAPT
SCHEMBL264907 0.77 ADORA2A (0.54) CNR2ACHECNR1LMNAL3MBTL1
SCHEMBL7119866 0.76 CNR2 (0.81) CNR2ACHECNR1LMNAMEN1
SCHEMBL7116425 0.75 CNR2 (1.00) CNR2ACHECNR1
SCHEMBL8156564 0.75 GLS (0.56) CNR2ACHECNR1PLA2G2AMCHR1
SCHEMBL14923447 0.74 CNR2 (0.52) CNR2ACHECNR1LMNAL3MBTL1
SCHEMBL5443540 0.74 CNR2 (0.55) CNR2ACHECNR1LMNAMEN1
SCHEMBL15345011 0.74 L3MBTL1 (0.52) CNR2ACHECNR1LMNAL3MBTL1

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-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed