SCHEMBL670281

SCHEMBL670281

O=C(Nc1ccc(N(c2ccccc2)c2ccncc2)cc1)c1ccc(Nc2ccnc3ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.65
MAPT P10636 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
POLB P06746 1/20 0.65
THRB P10828 1/20 0.65
MAPK1 P28482 1/20 0.65
MCL1 Q07820 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
DNMT1 P26358 8/20 0.52
DNMT3A Q9Y6K1 6/20 0.52
DNMT3L Q9UJW3 3/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 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
SCHEMBL669669 0.89 MAPT (0.80) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL30516137 0.79 KMT2A (1.00) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL20211618 0.79 KMT2A (1.00) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL26649077 0.78 KMT2A (0.70) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL674173 0.74 POLB (0.36) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL4367899 0.74 ABCG2 (0.67) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL9124370 0.70 DNMT1 (1.00) USP2MAPTKMT2AKDM4EPOLB
SCHEMBL24006029 0.70 DNMT1 (0.89) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL30287674 0.70 DNMT1 (0.89) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL12639121 0.69 DNMT1 (0.92) USP2MAPTKMT2ADNMT1DNMT3A

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-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 WO claimed