SCHEMBL11849768

SCHEMBL11849768

Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)O)cc(N)c23)c(S(=O)(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.60
▸ ENPP2 Q13822 5/20 0.59
▸ SENP2 Q9HC62 3/20 0.59
▸ SUMO2 P61956 2/20 0.59
▸ SUMO1 P63165 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SENP1 Q9P0U3 2/20 0.48
▸ SENP3 Q9H4L4 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ NT5E P21589 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PHLPP2 Q6ZVD8 2/20 0.43
▸ MAPK1 P28482 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
SCHEMBL11849783 1.00 APEX1 (0.60) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11670965 0.91 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL6346835 0.91 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11670482 0.91 APEX1 (0.73) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11670471 0.90 APEX1 (0.72) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11760573 0.80 APEX1 (0.61) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL13763516 0.80 ENPP2 (0.69) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11760582 0.80 APEX1 (0.61) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11847968 0.79 APEX1 (0.49) APEX1ENPP2SENP2SUMO2SUMO1
SCHEMBL11847983 0.79 APEX1 (0.49) APEX1ENPP2SENP2SUMO2SUMO1

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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