SCHEMBL11847983

SCHEMBL11847983

Nc1ccc(N=Nc2c(N)ccc3c(S(=O)(=O)O)ccc(N)c23)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 3/20 0.49
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ ENPP2 Q13822 2/20 0.44
▸ SENP2 Q9HC62 7/20 0.42
▸ SUMO2 P61956 5/20 0.42
▸ SUMO1 P63165 5/20 0.42
▸ SENP7 Q9BQF6 5/20 0.42
▸ ATIC P31939 1/20 0.42
▸ SENP1 Q9P0U3 5/20 0.41
▸ SENP3 Q9H4L4 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ THRB P10828 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL11847968 1.00 APEX1 (0.49) APEX1AURKAAURKBENPP2SENP2
SCHEMBL11849768 0.79 APEX1 (0.60) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11849783 0.79 APEX1 (0.60) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11683758 0.78 SENP2 (0.51) APEX1AURKAAURKBSENP2SUMO2
SCHEMBL11670482 0.77 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL6346835 0.77 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11670965 0.77 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11670471 0.76 APEX1 (0.72) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11190972 0.76 ENPP2 (0.59) APEX1AURKAAURKBENPP2CYP1A2
SCHEMBL11190957 0.76 ENPP2 (0.59) APEX1AURKAAURKBENPP2CYP1A2

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-3998957-A 1,1'-(UREYLENEBIS(SULFO-P-PHENYLENE)BISSULFO-1H,8H-INDAZOLO(2,3,4-CDE)BENZOTRIAZOL-9-IUM HYDROXIDE)INNER SALT AMERICAN CYANAMID COMPANY (US) 1976-12-21 — — US disclosed
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