SCHEMBL14988972

SCHEMBL14988972

Cc1c(OCC(F)(F)F)ccnc1[SH](C)(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 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
▸ ALDH1A1 P00352 3/20 0.57
▸ ATP4A P20648 3/20 0.57
▸ ATP4B P51164 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

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
SCHEMBL13547174 0.85 CYP2C9 (0.62) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL29186335 0.84 NPC1 (0.42) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL19949474 0.83 KMT2A (0.57) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL28064578 0.82 KMT2A (0.56) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL18040454 0.80 ATP4A (0.39) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL3204734 0.74 NPC1 (0.57) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL3194205 0.74 CYP1A2 (0.70) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL27990433 0.74 ALDH1A1 (0.45) MAPTCYP2C9NPC1RAB9AWDR5
SCHEMBL23988433 0.73 CYP2C9 (0.63) MAPTCYP2C9NPC1RAB9AWDR5
Dexlansoprazole SCHEMBL44975 0.73 CYP2C9 (0.63) MAPTCYP2C9NPC1RAB9AWDR5

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
CN-113694208-A Hydroxyalkyl alkylcellulose for tableting and solid formulation comprising the same 信越化学工业株式会社 2021-11-26 — — CN disclosed
CN-105542016-B Alkylcellulose for use in tableting and solid preparation comprising alkylcellulose 信越化学工业株式会社 2020-08-14 — — CN disclosed
EP-2342193-B1 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LAB LTD (IN) 2013-06-05 — — EP disclosed
Send feedback