SCHEMBL11425189

SCHEMBL11425189

O=C(Nc1cc(S(=O)(=O)O)c2cc(O)ccc2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.53
▸ CD40LG P29965 2/20 0.53
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ENPP2 Q13822 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ TYMS P04818 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MITF O75030 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP2 P42575 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 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
SCHEMBL11430148 0.88 KMT2A (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11434109 0.86 CD40 (0.56) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11423038 0.84 MEN1 (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10909144 0.83 ENPP2 (0.56) CD40CD40LGKMT2AENPP2CASP6
SCHEMBL11343949 0.83 ENPP2 (0.56) ENPP2CASP6
SCHEMBL11425014 0.83 CASP6 (0.57) MEN1KMT2AENPP2MAPTPOLB
SCHEMBL11436268 0.83 MAPT (0.57) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11423173 0.82 CASP6 (0.53) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11422942 0.82 CD40 (0.57) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11431130 0.80 CD40 (0.66) CD40CD40LGMEN1KMT2ARAB9A

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
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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