SCHEMBL9259309

SCHEMBL9259309

CC(C)(C)c1cc(-n2nc3ccc(S(=O)(=O)c4ccc(I)cc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.32
POLB P06746 1/20 0.32
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL8351052 0.93 POLB (0.35) NR1I2POLBALOX5PTGS2NPC1
SCHEMBL769483 0.90 POLB (0.37) NR1I2POLBALOX5PTGS2NPC1
SCHEMBL29357045 0.90 POLB (0.37) NR1I2POLBALOX5PTGS2NPC1
SCHEMBL9265339 0.89 KMT2A (0.37) NR1I2POLBNPC1RAB9AHSP90AA1
SCHEMBL9263512 0.89 NR1I2 (0.36) NR1I2POLBALOX5PTGS2NPC1
SCHEMBL9265042 0.89 NR1I2 (0.36) NR1I2POLBNPC1RAB9A
SCHEMBL7785455 0.85 NPC1 (0.35) POLBALOX5PTGS2NPC1RAB9A
SCHEMBL23636578 0.81 ACSS2 (0.38) POLBALOX5PTGS2NPC1RAB9A
SCHEMBL9257974 0.81 NPC1 (0.31) NPC1RAB9AHSP90AA1
SCHEMBL21586972 0.81 POLB (0.37) POLBPTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP claimed
US-5410071-A Sulfiding with a thiophenolic compound or a thiophenolate in a polar solvent to form a stabilizers for polyphenylene sulfide against UV radiation PHILLIPS PETROLEUM COMPANY (US) 1995-04-25 US disclosed
US-5319091-A Contacting sulfur-containing aromatic compound with hydroxyphenylbenzotriazole derivative in presence of polar organic compound, oxidizing formed aryl sulfide derivative to sulfone, sulfoxide or mixtures PHILLIPS PETROLEUM COMPANY (US) 1994-06-07 US disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed