SCHEMBL7127943

SCHEMBL7127943

NC(=O)Nc1cc(N)ccc1N=Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 6/20 0.47
▸ SUMO2 P61956 5/20 0.47
▸ SUMO1 P63165 5/20 0.47
▸ SENP7 Q9BQF6 5/20 0.47
▸ ATIC P31939 3/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SENP1 Q9P0U3 5/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ POLB P06746 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
SCHEMBL15985963 0.89 CYP1A2 (0.51) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL6726725 0.87 SUMO2 (0.45) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL13388672 0.85 SENP2 (0.68) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11425279 0.85 ALDH1A1 (0.44) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11424803 0.79 ENPP2 (0.43) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11337114 0.78 ENPP2 (0.43) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL9238793 0.76 NT5E (0.41) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL6030186 0.76 NT5E (0.41) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL4699280 0.76 NT5E (0.41) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL8627670 0.76 SENP2 (0.51) SENP2SUMO2SUMO1SENP7ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670457-B2 Use for dyeing or printing textile fibre materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-30 — — US disclosed
US-20030055230-A1 Reactive dyes, their preparation and use HUNTSMAN INTERNATIONAL LLC 2003-03-20 — — US disclosed
US-5969113-A DYE COTTON OR WOOL IN BRILLIANT COLORS WITH GOOD LIGHTFASTNESS AND WASHFASTNESS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-19 — — US disclosed
EP-0764694-A1 Reactive dyes, their preparation and use thereof Ciba SC Holding AG (CH) 1997-03-26 — — EP disclosed
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