SCHEMBL8141539

SCHEMBL8141539

COc1ccnc(N(C)S(=O)(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRM1 Q13255 1/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ CD38 P28907 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ SRPK1 Q96SB4 1/20 0.31
▸ IDH1 O75874 1/20 0.31

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
SCHEMBL8141545 0.80 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8133102 0.77 MAPT (0.34) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8071180 0.73 NOS2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL8069345 0.72 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8141541 0.71 CYP19A1 (0.41) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8074080 0.69 CYP2C9 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL8128130 0.67 SRPK1 (0.41) SRPK1OPRL1
SCHEMBL8133110 0.66 ATP4A (0.39) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8071082 0.66 CYP19A1 (0.36) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL8071118 0.64 NPC1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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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