SCHEMBL9675803

SCHEMBL9675803

COc1ccc2c(c1)ncn2[S+]([O-])Cc1ccccc1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 10/20 0.45
▸ SRC P12931 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ RAD51 Q06609 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL9395886 0.85 FGFR1 (0.40) FGFR1SRCKDRPLK1
SCHEMBL9395781 0.85 FGFR1 (0.40) FGFR1SRCALDH1A1HPGD
SCHEMBL9678510 0.77 FGFR1 (0.47) FGFR1SRCALDH1A1HPGDMAPK1
SCHEMBL10701671 0.76 ACSS2 (0.42) FGFR1ALDH1A1HTTRAD51
SCHEMBL9694990 0.72 PDGFRB (0.42) ALDH1A1HPGDHTT
SCHEMBL8504140 0.72 CYP11B1 (0.34) HPGDMAPK1HTT
SCHEMBL6480755 0.70 PRMT5 (0.38) ALDH1A1HPGDMAPK1
SCHEMBL9395894 0.68 PRMT5 (0.46) ALDH1A1HPGDHTT
SCHEMBL30181389 0.65 NPC1 (0.54) FGFR1ALDH1A1HTTKDR
SCHEMBL10702557 0.64 FGFR1 (0.35) FGFR1SRCALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 — — EP claimed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 — — EP claimed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 — — EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 — — EP disclosed
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