SCHEMBL11226640

SCHEMBL11226640

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.67
▸ CYP1A2 P05177 4/20 0.64
▸ SUMO2 P61956 2/20 0.61
▸ SUMO1 P63165 2/20 0.61
▸ SENP7 Q9BQF6 2/20 0.61
▸ SENP2 Q9HC62 2/20 0.61
▸ APEX1 P27695 2/20 0.59
▸ MAPK1 P28482 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP2C9 P11712 2/20 0.54
▸ DNASE1L3 Q13609 1/20 0.54
▸ PRMT1 Q99873 2/20 0.51
▸ HIF1A Q16665 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PTPRA P18433 1/20 0.50
▸ PTPRB P23467 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAPGEF4 Q8WZA2 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NT5E P21589 2/20 0.47

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
SCHEMBL11226638 1.00 ENPP2 (0.67) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL16490261 0.91 ENPP2 (0.60) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL14001583 0.91 ENPP2 (0.60) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL11339046 0.88 ENPP2 (0.61) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL11670965 0.87 APEX1 (0.73) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL6346835 0.87 APEX1 (0.73) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL11670482 0.87 APEX1 (0.73) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL11317617 0.87 ENPP2 (0.60) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL11670471 0.86 APEX1 (0.72) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL14495162 0.86 CYP1A2 (0.67) ENPP2CYP1A2SUMO2SUMO1SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359458-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1982-11-16 — — US disclosed
US-4337249-A COMPLEMENT INHIBITORS; TREATMENT OF IMMUNOLOGIC DISEASES AMERICAN CYANAMID COMPANY (US) 1982-06-29 — — US disclosed
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