SCHEMBL9802579

SCHEMBL9802579

Oc1cccnc1-n1ccnc1SCc1ccccc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PIK3CA P42336 4/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CG P48736 1/20 0.38
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.35
P2RX7 Q99572 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 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
SCHEMBL9802738 0.83 SMN1; SMN2 (0.39) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9802799 0.77 CYP1A2 (0.39) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9802604 0.74 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2D6L3MBTL1ALDH1A1
SCHEMBL9808773 0.66 L3MBTL1 (0.51) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL29086204 0.65 GAA (0.55) CYP1A2CYP2C9CYP3A4CYP2C19PIK3CA
SCHEMBL33868 0.64 GAA (0.55) CYP1A2CYP3A4CYP2C19L3MBTL1HTT
SCHEMBL3081290 0.64 CYP1A2 (0.52) CYP1A2CYP2C9PIK3CAPIK3CDPIK3CG
SCHEMBL1715455 0.63 AKR1C3 (0.50) CYP1A2CYP3A4CYP2C19L3MBTL1ALDH1A1
SCHEMBL29378237 0.62 CYP19A1 (0.46) P2RX7
SCHEMBL9678507 0.62 RAB9A (0.60) HTTSMN1; SMN2ALDH1A1TSHRMAPT

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