SCHEMBL7467599

SCHEMBL7467599

N#CC(=Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RRM1 P23921 1/20 0.46
POLB P06746 4/20 0.45
RXFP3 Q9NSD7 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 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
SCHEMBL8859582 1.00 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2RRM1
SCHEMBL3246996 0.84 APP (0.56) MAPTALDH1A1RRM1POLBRXFP3
SCHEMBL7456833 0.82 EGFR (0.60) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL7471104 0.82 POLB (0.49) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL7471108 0.82 POLB (0.49) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL7456830 0.82 EGFR (0.60) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL7466924 0.80 ALDH1A1 (0.51) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL7466929 0.80 ALDH1A1 (0.51) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL5635746 0.78 MAPT (0.49) MAPTRRM1POLBRXFP3MEN1
SCHEMBL5635744 0.78 MAPT (0.49) MAPTRRM1POLBRXFP3MEN1

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-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP disclosed
US-5652250-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1997-07-29 US disclosed