SCHEMBL3204734

SCHEMBL3204734

Cc1c(OCC(F)(F)F)ccnc1S(=O)(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ WDR5 P61964 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ENGASE Q8NFI3 3/20 0.57
▸ SARM1 Q6SZW1 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ DDAH1 O94760 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ TBXA2R P21731 2/20 0.57
▸ NPY1R P25929 2/20 0.57
▸ ADORA1 P30542 2/20 0.57

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
SCHEMBL2363618 0.84 MAPT (0.54) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL30052062 0.83 CYP2C9 (0.63) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL106666 0.83 CYP2C9 (0.63) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL1269347 0.82 CYP2C9 (0.61) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL2364997 0.81 CYP2C9 (0.60) NPC1RAB9AMAPTCYP2C9ALDH1A1
1,4-Butanediol SCHEMBL2365476 0.77 CYP2C9 (0.55) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL29323859 0.76 CYP2C9 (0.55) NPC1RAB9AMAPTCYP2C9ALDH1A1
Propylene Glycol SCHEMBL2364761 0.75 CYP2C9 (0.54) NPC1RAB9AMAPTCYP2C9ALDH1A1
Ethylene Glycol SCHEMBL2364760 0.75 CYP2C9 (0.53) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL14988972 0.74 MAPT (0.57) NPC1RAB9AMAPTCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683080-B2 Stable iansoprazole containing more than 500 ppm, up to about 3,000 ppm water and more than 200 ppm, up to about 5,000 ppm alcohol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-23 — — US claimed
US-7683080-B2 Stable iansoprazole containing more than 500 ppm, up to about 3,000 ppm water and more than 200 ppm, up to about 5,000 ppm alcohol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-23 — — US disclosed
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