SCHEMBL9802799

SCHEMBL9802799

Nc1ccc(-n2ccnc2SCc2ccccc2N2CCOCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 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
SCHEMBL9802604 0.85 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2D6L3MBTL1MAPK1
SCHEMBL9803011 0.82 RAB9A (0.44) CYP1A2CYP2C19SMN1; SMN2NPC1TSHR
SCHEMBL9802333 0.78 KDM4E (0.35) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9802579 0.77 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9803096 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL9802738 0.71 SMN1; SMN2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL48764 0.68 ALDH1A1 (0.55) CYP1A2CYP2C9SMN1; SMN2GRIN2DGRIN3B
SCHEMBL29536679 0.68 ALDH1A1 (0.55) CYP1A2CYP2C9SMN1; SMN2GRIN2DGRIN3B
SCHEMBL9667560 0.67 L3MBTL1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3424961 0.64 GRIN2D (0.46) L3MBTL1SMN1; SMN2NPC1RAB9AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1020902-C IMIDAZOLE DERIVATIVE AND PROCESSES FOR PREPARING SAME TANAHBE SEIYAKU CO LTD (JP) 1993-05-26 CN disclosed
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