SCHEMBL11568356

SCHEMBL11568356

O=[N+]([O-])Nc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
EGFR P00533 5/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TGM2 P21980 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
IDO1 P14902 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
P2RX1 P51575 1/20 0.40

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
SCHEMBL11669404 0.79 S100A4 (0.37) MEN1KMT2AMAPTTRPV1
SCHEMBL27695100 0.76 KMT2A (0.62) MEN1KMT2AMAPTLMNACA1
SCHEMBL8030507 0.76 TSHR (0.52) MEN1KMT2AMAPTGAAALOX5
SCHEMBL28187810 0.76 LMNA (0.39) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL399101 0.76 TRPV1 (0.43) MEN1KMT2AMAPTEGFRLMNA
SCHEMBL8061244 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTLMNAGAA
SCHEMBL6199248 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTEGFRLMNA
SCHEMBL4853551 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTLMNACA14
Nitric Acid SCHEMBL20984383 0.76 IDO1 (0.49) MEN1KMT2AMAPTEGFRLMNA
Hydrochloric Acid SCHEMBL28403396 0.74 ALDH1A1 (0.50) MEN1KMT2AMAPTLMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
EP-0003881-A1 Substituted phenylnitramines, their preparation and their application as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP disclosed
US-4130645-A Fungicidal phenylnitramines and new phenylnitramines AMERICAN CYANAMID COMPANY (US) 1978-12-19 US disclosed