SCHEMBL5134227

SCHEMBL5134227

CSn1c(-c2nccc(OCC(F)(F)F)c2C)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ WDR5 P61964 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ENGASE Q8NFI3 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ SARM1 Q6SZW1 1/20 0.42
▸ DDAH1 O94760 1/20 0.42
▸ ATP1A1 P05023 1/20 0.42

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
Water SCHEMBL9742496 0.90 MAPT (0.42) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL8672723 0.83 MEN1 (0.38) MAPTNPC1TSHRALDH1A1KMT2A
SCHEMBL8669339 0.82 MEN1 (0.39) NPC1RAB9ATSHRALDH1A1KMT2A
SCHEMBL8443200 0.82 KMT2A (0.42) MAPTNPC1RAB9ACYP2C9TSHR
SCHEMBL8550349 0.81 KDM4E (0.42) MAPTRAB9ATSHRALDH1A1KMT2A
SCHEMBL1559770 0.81 MAPT (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1559910 0.81 MAPT (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL8668968 0.79 SMN1; SMN2 (0.39) MAPTNPC1RAB9ACYP2C9ALDH1A1
SCHEMBL8551897 0.78 LMNA (0.35) MAPTNPC1TSHRKMT2ALMNA
SCHEMBL8672735 0.78 MAPT (0.37) MAPTKMT2ALMNA

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
CN-108314675-B Preparation method of high-optical-purity anti-gastric ulcer drug R-lansoprazole 浙江药苑生物科技有限公司 2020-08-07 — — CN claimed
CN-108314675-B Preparation method of high-optical-purity anti-gastric ulcer drug R-lansoprazole 浙江药苑生物科技有限公司 2020-08-07 — — CN disclosed
WO-2008087665-A2 PROCESS FOR PREPARATION OF LANSOPRAZOLE MATRIX LABORATORIES LTD (IN) 2008-07-24 — — WO disclosed
EP-0585722-B1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon EISAI CO LTD (JP) 1996-05-15 — — EP disclosed
EP-0585722-A1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon Eisai Co., Ltd. (JP) 1994-03-09 — — EP disclosed
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