SCHEMBL7785455

SCHEMBL7785455

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5 P09917 4/20 0.33
PTGS2 P35354 4/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL712969 0.88 NPC1 (0.38) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL29706577 0.88 NPC1 (0.38) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL9257974 0.87 NPC1 (0.31) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL22080465 0.86 NPC1 (0.37) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL24236672 0.85 NPC1 (0.36) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL24236671 0.85 NPC1 (0.36) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL6904762 0.85 NPC1 (0.44) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL9259309 0.85 NR1I2 (0.32) NPC1RAB9AHSP90AA1ALOX5PTGS2
SCHEMBL29708 0.85 NPC1 (0.49) NPC1RAB9AHSP90AA1CYP1A2CYP3A4
SCHEMBL29350736 0.85 NPC1 (0.49) NPC1RAB9AHSP90AA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342748-B1 Synergistic combinations of UV Absorbers for pigmented polyolefins CIBA HOLDING INC (CH) 2008-08-27 EP disclosed
EP-1144391-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES Ciba SC Holding AG (CH) 2001-10-17 EP disclosed
WO-2000043376-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-27 WO disclosed
US-6040455-A REACTING A HALOBENZOTRIAZOLE COMPOUND WITH ALIPHATIC, PHENYLALKYL OR ARYL MERCAPTAN COMPOUND TO FORM 5-THIO SUBSTITUTED BENZOTRIAZOLE, OXIDIZING WITH HYDROGEN PEROXIDE TO FOR 5-SULFONE SUBSTITUED BENZOTRIAZOLE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-21 US disclosed