SCHEMBL9802597

SCHEMBL9802597

O=C1c2ccccc2C(=O)N1c1ccccc1CSc1nccn1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.52
CYP1A2 P05177 5/20 0.52
CYP3A4 P08684 5/20 0.52
CYP2D6 P10635 5/20 0.52
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
ELANE P08246 1/20 0.47
ALOX15B O15296 3/20 0.45
GAA P10253 2/20 0.44
NR1H3 Q13133 3/20 0.43
NR1H2 P55055 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL9808773 0.81 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802782 0.77 CYP1A2 (0.60) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9665324 0.76 ALDH1A1 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802581 0.74 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802620 0.72 CYP1A2 (0.54) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24945135 0.69 L3MBTL1 (1.00) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9012027 0.66 L3MBTL1 (0.70) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11619942 0.66 KDM4E (0.70) GAANR1H3SMN1; SMN2RAB9AALDH1A1
SCHEMBL9802344 0.65 NR1H3 (0.38) ELANEGAANR1H3NR1H2SMN1; SMN2
SCHEMBL27586782 0.65 NR1H3 (0.70) GAANR1H3NR1H2RAB9APOLB

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