SCHEMBL7786916

SCHEMBL7786916

Oc1cc(-c2ccccc2)ccc1-n1nc2ccc(I)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
STAT1 P42224 1/20 0.38
HNF4A P41235 2/20 0.36
ACMSD Q8TDX5 2/20 0.36
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR2 Q92731 2/20 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
SCHEMBL5834727 0.83 ALOX5 (0.41) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL5834566 0.83 ALOX5 (0.41) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL5834239 0.83 NPC1 (0.43) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL11374684 0.83 ESR2 (0.44) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL20462072 0.82 POLB (0.50) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL7785479 0.81 NPC1 (0.37) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL1703200 0.74 LMNA (0.63) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL24454406 0.73 NPC1 (0.40) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL27491075 0.72 NPC1 (0.56) ALOX5NPC1RAB9ALMNAKDM4E
SCHEMBL13463339 0.72 NPC1 (0.65) NPC1RAB9ALMNAKDM4EMEN1

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