SCHEMBL11434390

SCHEMBL11434390

O=C(Nc1cc(O)c2cccc(S(=O)(=O)O)c2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.61
▸ CD40LG P29965 2/20 0.61
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PSMB5 P28074 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11425773 0.90 MEN1 (0.62) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11433801 0.86 CD40 (0.61) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL10996673 0.85 TIMP3 (0.46) CD40CD40LGMEN1KMT2APOLB
SCHEMBL11347423 0.85 TIMP3 (0.54) CD40CD40LGMEN1KMT2AALDH1A1
SCHEMBL11432219 0.84 MAPT (0.55) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL11425190 0.84 MEN1 (0.56) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11430988 0.84 CASP6 (0.59) CD40CD40LGMEN1KMT2APOLB
SCHEMBL11425167 0.83 CD40 (0.62) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11422974 0.82 CD40 (0.58) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11423173 0.81 CASP6 (0.53) 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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