SCHEMBL11339046

SCHEMBL11339046

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccccc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.61
▸ CYP1A2 P05177 3/20 0.53
▸ APEX1 P27695 3/20 0.52
▸ SUMO2 P61956 2/20 0.50
▸ SUMO1 P63165 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP2 Q9HC62 2/20 0.50
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ PRMT1 Q99873 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ PTPRB P23467 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL11317617 0.99 ENPP2 (0.60) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL11317610 0.90 APEX1 (0.65) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL14000221 0.90 ENPP2 (0.62) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL11226640 0.88 ENPP2 (0.67) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL11226638 0.88 ENPP2 (0.67) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL14133998 0.87 ENPP2 (0.46) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL16490261 0.86 ENPP2 (0.60) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL14001583 0.86 ENPP2 (0.60) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL14000222 0.84 ENPP2 (0.55) ENPP2CYP1A2APEX1SUMO2SUMO1
SCHEMBL15113036 0.81 ENPP2 (0.54) ENPP2CYP1A2APEX1SUMO2SUMO1

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-4260389-A FINISHING AGENT, WATER, FOAMING AGENT; DYEING SANDOZ LTD. (CH) 1981-04-07 — — US disclosed
Send feedback