SCHEMBL9257974

SCHEMBL9257974

CC(C)(C)c1cc(-n2nc3ccc(Sc4ccc(I)cc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8382806 0.93 NPC1 (0.35) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL7787074 0.90 CYP1A2 (0.38) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL9268361 0.89 NPC1 (0.36) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL9266221 0.89 HSP90AA1 (0.36) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL9254528 0.89 NPC1 (0.33) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL7785455 0.87 NPC1 (0.35) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL24236676 0.86 NPC1 (0.35) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL22164133 0.83 NPC1 (0.41) NPC1RAB9ACYP2C9CYP2C19
SCHEMBL30631662 0.83 NPC1 (0.41) NPC1RAB9ACYP2C9CYP2C19
SCHEMBL22184105 0.82 NPC1 (0.45) NPC1RAB9ACYP2C9CYP2C19

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 7 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-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US 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