SCHEMBL2363618

SCHEMBL2363618

Cc1c(OCC(F)(F)F)ccnc1N(C)S(=O)(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ CYP2C9 P11712 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ WDR5 P61964 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ENGASE Q8NFI3 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SARM1 Q6SZW1 3/20 0.54
▸ ATP4A P20648 3/20 0.54
▸ ATP4B P51164 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ DDAH1 O94760 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ TBXA2R P21731 2/20 0.54

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
SCHEMBL5413997 0.84 KMT2A (0.54) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL3204734 0.84 NPC1 (0.57) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL30052062 0.80 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL106666 0.80 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL1269347 0.78 CYP2C9 (0.61) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL8133102 0.78 MAPT (0.34) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL2364997 0.78 CYP2C9 (0.60) MAPTCYP2C9ALDH1A1WDR5KMT2A
1,4-Butanediol SCHEMBL2365476 0.73 CYP2C9 (0.55) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL29323859 0.73 CYP2C9 (0.55) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL15016483 0.73 SARM1 (0.37) MAPTCYP2C9ALDH1A1WDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342193-A2 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Matrix Laboratories Limited (IN) 2011-07-13 — — EP disclosed
WO-2010035283-A2 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2010-04-01 — — WO disclosed
EP-1368338-A4 METHOD OF PREPARING LANSOPRAZOLE AND ITS INTERMEDIATE HANSOL CHEMIENCE CO LTD (KR) 2004-09-15 — — EP disclosed
EP-1368338-A1 METHOD OF PREPARING LANSOPRAZOLE AND ITS INTERMEDIATE Chemtech Research Incorporation (KR) 2003-12-10 — — EP disclosed
WO-2002074766-A1 METHOD OF PREPARING LANSOPRAZOLE AND ITS INTERMEDIATE CHEMTECH RESEARCH INCORPORATION (KR) 2002-09-26 — — WO disclosed
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