SCHEMBL7786938

SCHEMBL7786938

Cc1ccc(O)c(-n2nc3ccc(I)cc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 6/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
POLB P06746 2/20 0.38
TRPA1 O75762 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3297579 0.89 NPC1 (0.81) NPC1RAB9ALMNAMEN1KMT2A
Drometrizole SCHEMBL29350665 0.82 NPC1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
Drometrizole SCHEMBL15616 0.82 NPC1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL12755301 0.82 NPC1 (0.75) NPC1RAB9ALMNAMEN1KMT2A
Drometrizole SCHEMBL2548258 0.82 NPC1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
Drometrizole SCHEMBL27755727 0.82 NPC1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5834525 0.82 NPC1 (0.69) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5834167 0.82 NPC1 (0.69) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL30887171 0.82 NPC1 (0.69) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL30130370 0.82 NPC1 (0.69) NPC1RAB9ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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