SCHEMBL9803014

SCHEMBL9803014

O=C(Nc1ccccc1C[S+]([O-])c1nccn1-c1ccccn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
GAA P10253 1/20 0.38
F10 P00742 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM4 Q14833 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL9803159 0.88 PTK2 (0.39) GRM5KDM4ETSHRGAAPTK2
SCHEMBL9666016 0.82 PTK2 (0.39) KDM4ETSHRPTK2
SCHEMBL9803119 0.77 HDAC1 (0.47) GRM5KDRMAPTALDH1A1CYP1A2
SCHEMBL9012258 0.76 KDM4E (0.38) MAPTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL27274296 0.76 PTK2 (0.37) SMN1; SMN2L3MBTL1PTK2
SCHEMBL9666990 0.76 KDM4E (0.35) KDRALDH1A1KDM4ETSHRPOLB
SCHEMBL9802979 0.75 KDM4E (0.37) KDM4ETSHR
SCHEMBL9665360 0.74 KDM4E (0.34) ALDH1A1KDM4ETSHRPOLBPTK2
SCHEMBL9011984 0.73
SCHEMBL9802864 0.70 KDM4E (0.33) KDM4ETSHRPOLBPTK2

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-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed
CN-87108111-A Novel imidazole derivative and preparation method thereof 1988-09-28 CN disclosed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed