SCHEMBL27472894

SCHEMBL27472894

COCc1cc(C(=O)N(C)c2ccc(F)c(OC)c2)cc2c1ncn2-c1ccc(NC(=O)OC)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TTK P33981 3/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL30962499 1.00 HPGD (0.32) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL27472948 0.94 MCHR1 (0.33) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL30962559 0.94 MCHR1 (0.33) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL30962490 0.92 HPGD (0.32) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL27473086 0.92 HPGD (0.32) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL30962553 0.91 TTK (0.32) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL30962571 0.90 ATM (0.34) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL27472791 0.89 GRIN2B (0.34) TTK
SCHEMBL30962548 0.89 GRIN2B (0.34) TTK
SCHEMBL30962595 0.86 TTK (0.32) HPGDCYP1A2CYP2C9MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126407-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 — — WO disclosed
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