SCHEMBL7778906

SCHEMBL7778906

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL710533 0.90 MAPK1 (0.36) NPC1RAB9APOLBLMNAMEN1
SCHEMBL29706521 0.90 MAPK1 (0.36) NPC1RAB9APOLBLMNAMEN1
SCHEMBL29350743 0.87 NPC1 (0.45) NPC1RAB9APOLBLMNAMEN1
SCHEMBL39146 0.87 NPC1 (0.45) NPC1RAB9APOLBLMNAMEN1
SCHEMBL382056 0.87 NPC1 (0.38) NPC1RAB9APOLB
SCHEMBL5834134 0.87 NPC1 (0.35) NPC1RAB9APOLB
SCHEMBL29567315 0.87 NPC1 (0.38) NPC1RAB9APOLB
SCHEMBL5834387 0.87 NPC1 (0.35) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL586578 0.86 NPC1 (0.44) NPC1RAB9APOLBLMNAMEN1
SCHEMBL11457333 0.86 NPC1 (0.44) NPC1RAB9APOLBLMNAMEN1

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