SCHEMBL9395886

SCHEMBL9395886

CN(C)c1ccccc1C[S+]([O-])n1cnc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.40
▸ PLK1 P53350 1/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9395781 0.86 FGFR1 (0.40) FGFR1NPC1MAPTLMNASMN1; SMN2
SCHEMBL9675803 0.85 FGFR1 (0.45) FGFR1PLK1SRCKDR
SCHEMBL8504140 0.73 CYP11B1 (0.34) MAPTLMNATSHRSMN1; SMN2TDP1
SCHEMBL9395890 0.68 ATP4A (0.39) NPC1RAB9AMAPTTP53LMNA
SCHEMBL9395895 0.66 ALDH1A1 (0.41) RAB9AMAPTTP53SMN1; SMN2CYP3A4
SCHEMBL9694934 0.63 ATP4A (0.31) —
SCHEMBL636638 0.62 CYP11B1 (0.50) LMNATSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL9678510 0.62 FGFR1 (0.47) FGFR1PLK1SRCKDR
SCHEMBL9560914 0.62 TDP1 (0.46) FGFR1LMNAPKMTSHRSMN1; SMN2
SCHEMBL10701671 0.62 ACSS2 (0.42) FGFR1NPC1RAB9ATP53LMNA

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
US-5294439-A Stabilized benzimidazole derivative and composition NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-15 — — US disclosed
EP-0248634-B1 STABILIZED BENZIMIDAZOLE DERIVATIVE AND COMPOSITION NIPPON CHEMIPHAR CO., LTD. (JP) 1993-07-21 — — EP disclosed
EP-0218336-B1 USE OF BENZYLSULFINYLBENZIMIDAZOLES AS CYTOPROTECTIVE AGENTS FOR THE GASTROINTESTINAL TRACT NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-18 — — EP disclosed
US-4824856-A Method of protecting gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1989-04-25 — — US disclosed
EP-0218336-A2 Use of benzylsulfinylbenzimidazoles as cytoprotective agents for the gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1987-04-15 — — EP disclosed
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