SCHEMBL10957199

SCHEMBL10957199

Nc1ccc(S(=O)(=O)O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(S(=O)(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.56
▸ CD40LG P29965 2/20 0.56
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TIMP3 P35625 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MITF O75030 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PSMB5 P28074 1/20 0.44
▸ TYMS P04818 1/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP2 P42575 1/20 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
SCHEMBL11736141 0.83 MEN1 (0.61) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11433801 0.80 CD40 (0.61) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL10887712 0.79 CD40 (0.56) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11425167 0.79 CD40 (0.62) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11052334 0.78 NT5E (0.51) MEN1KMT2ARAB9AALDH1A1NT5E
SCHEMBL11434390 0.78 CD40 (0.61) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL8589578 0.77 ENPP2 (0.46) MEN1KMT2AALDH1A1TIMP3LMNA
SCHEMBL11425189 0.76 CD40 (0.53) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11409686 0.75 MAPT (0.56) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL3297268 0.75 TIMP3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 — — US disclosed
US-4354968-A Azo reactive dyestuffs having an aryl-triazinyl-aryl diazo component BAYER AKTIENGESELLSCHAFT (DE) 1982-10-19 — — US disclosed
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