SCHEMBL6813310

SCHEMBL6813310

O=c1[nH]c2cc(Nc3cccc([N+](=O)[O-])c3)cnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 2/20 0.49
KIF11 P52732 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
BCL6 P41182 3/20 0.46
BCOR Q6W2J9 3/20 0.46
ERBB2 P04626 1/20 0.46
ROCK1 Q13464 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK2 P24941 2/20 0.44
CDK5 Q00535 2/20 0.44
EGFR P00533 2/20 0.44

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
SCHEMBL6813581 0.86 MEN1 (0.52) KMT2AMEN1PKMBCL6BCOR
SCHEMBL6392629 0.80 PRKD3 (0.62) KMT2AMEN1ROCK1ALDH1A1KDM4E
SCHEMBL6813901 0.79 PRKD3 (0.51) KMT2AMEN1ROCK1KDM4ESMN1; SMN2
SCHEMBL6813325 0.79 MAPT (0.52) ROCK1SMN1; SMN2CDK2CDK5EGFR
SCHEMBL6813273 0.79 PRKD3 (0.48) PTK6ERBB2ROCK1GAACDK2
SCHEMBL6810391 0.77 MEN1 (0.51) PTK6KMT2AMEN1PKMERBB2
SCHEMBL6818104 0.77 ALDH1A1 (0.44) KMT2AMEN1PKMROCK1ALDH1A1
SCHEMBL6814222 0.77 HSP90AA1 (0.46) KMT2AMEN1PKMBCL6BCOR
SCHEMBL20569889 0.76 PRKD3 (0.54) KMT2AMEN1BCL6BCORROCK1
SCHEMBL6397413 0.76 KIF11 (0.56) PTK6KIF11KMT2AKDM4EGAA

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
EP-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP disclosed