SCHEMBL9313673

SCHEMBL9313673

CN(c1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(Cl)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ ENPP2 Q13822 9/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ PRMT1 Q99873 3/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ FUT8 Q9BYC5 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39

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
SCHEMBL9565685 0.91 ALDH1A1 (0.46) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL9313176 0.89 FUT8 (0.47) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL9312418 0.89 PRMT1 (0.48) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL13881025 0.86 ENPP2 (0.44) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL10024206 0.84 MEN1 (0.42) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL3692856 0.83 PRMT1 (0.55) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL3692863 0.83 PRMT1 (0.55) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL13881049 0.82 PRMT1 (0.43) CD40CD40LGALDH1A1ENPP2MEN1
SCHEMBL9238018 0.81 PRMT1 (0.46) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL10444854 0.80 MEN1 (0.40) CD40CD40LGALDH1A1HIF1AENPP2

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-5306813-A For cotton textiles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-26 — — US disclosed
EP-0522716-A2 Azo dyes with reactive triazine rings ZENECA LIMITED (GB) 1993-01-13 — — EP disclosed
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