SCHEMBL8133102

SCHEMBL8133102

Cc1c(OCC(F)(F)F)ccnc1N(C)S(=O)(=O)c1nc2cc(-n3ccnc3)c(F)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ WDR5 P61964 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ENGASE Q8NFI3 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ATP1A1 P05023 2/20 0.34
▸ ATP1B1 P05026 2/20 0.34
▸ ATP1A3 P13637 2/20 0.34
▸ ATP1B2 P14415 2/20 0.34
▸ ATP4A P20648 2/20 0.34
▸ ATP1A2 P50993 2/20 0.34
▸ ATP4B P51164 2/20 0.34
▸ ATP1B3 P54709 2/20 0.34
▸ FXYD2 P54710 2/20 0.34

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
SCHEMBL8133110 0.82 ATP4A (0.39) MAPTWDR5KMT2AENGASENPC1
SCHEMBL2363618 0.78 MAPT (0.54) MAPTWDR5KMT2AENGASENPC1
SCHEMBL8141539 0.77 CYP11B1 (0.39) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8059958 0.76 NPC1 (0.61) MAPTWDR5KMT2AENGASENPC1
SCHEMBL8071088 0.75 NPC1 (0.39) MAPTWDR5KMT2AENGASENPC1
SCHEMBL8128130 0.75 SRPK1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL4845769 0.68 MAPT (0.31) MAPTATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL8074080 0.67 CYP2C9 (0.59) MAPTWDR5KMT2AENGASECYP1A2
SCHEMBL8141545 0.67 CYP11B1 (0.37) MAPTWDR5CYP1A2CYP3A4CYP2D6
SCHEMBL8141541 0.67 CYP19A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19ATP1A1

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
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 — — EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 — — WO disclosed
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