SCHEMBL7778366

SCHEMBL7778366

O=S(=O)(O)c1cc2cc(NCc3nc(Cl)nc(Cl)n3)ccc2c(O)c1/N=N/c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.44
▸ CD40LG P29965 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FUT8 Q9BYC5 1/20 0.43
▸ PRMT1 Q99873 3/20 0.41
▸ PRMT3 O60678 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ ENPP2 Q13822 8/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38

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
SCHEMBL7778371 1.00 CD40 (0.44) CD40CD40LGMEN1THRBKMT2A
SCHEMBL3698753 0.94 ENPP2 (0.42) CD40CD40LGMEN1THRBKMT2A
SCHEMBL13406580 0.83 FUT8 (0.57) CD40CD40LGMEN1THRBKMT2A
SCHEMBL8124363 0.82 CD40 (0.51) CD40CD40LGMEN1THRBKMT2A
SCHEMBL8124361 0.82 CD40 (0.51) CD40CD40LGMEN1THRBKMT2A
Ammonia Solution, Strong SCHEMBL10651283 0.81 CYP1A2 (0.55) CD40CD40LGMEN1THRBKMT2A
SCHEMBL13513259 0.81 FUT8 (0.53) CD40CD40LGMEN1THRBKMT2A
SCHEMBL10024206 0.79 MEN1 (0.42) CD40CD40LGMEN1THRBKMT2A
SCHEMBL14388951 0.79 CD40 (0.43) CD40CD40LGMEN1THRBKMT2A
SCHEMBL15544404 0.79 CD40 (0.43) CD40CD40LGMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876430-B1 BRANCHED POLYAMINE LINKED REACTIVE DYES AND COLORATION PROCESS USING THEM SYNGENTA LTD (GB) 2001-08-29 — — EP disclosed
US-6022384-A Negative dyes and coloration process using them ZENECA LIMITED (GB) 2000-02-08 — — US disclosed
US-5968208-A Negative dyes and coloration process using them ZENECA LIMITED (GB) 1999-10-19 — — US disclosed
EP-0876430-A1 NEGATIVE DYES AND COLORATION PROCESS USING THEM ZENECA LIMITED (GB) 1998-11-11 — — EP disclosed
WO-1997019137-A1 NEGATIVE DYES AND COLORATION PROCESS USING THEM ZENECA LIMITED (GB) 1997-05-29 — — WO disclosed
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