SCHEMBL31337227

SCHEMBL31337227

COc1cc(-n2ncnc2-c2cc(C)c3nc[nH]c3c2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ OXTR P30559 1/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ RET P07949 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL31337181 0.83 TUBB4A (0.38) BRD4ACACBPTGS2CTSSCTSK
SCHEMBL31337196 0.82 OXTR (0.44) BRD4PTGS2RXRAGRIN1GRIN2B
SCHEMBL31337162 0.82 TUBB4A (0.45) BRD4ACACBPTGS2CTSSCTSK
SCHEMBL31337198 0.75 CA1 (0.35) BRD4ACACBPTGS2RXRAGRIN1
SCHEMBL31337208 0.75 GRIN2B (0.32) KDM4EALDH1A1MAPK1PTGS2RXRA
SCHEMBL31051318 0.72 ALDH1A1 (0.34) KDM4EALDH1A1MAPK1RXRAGRIN1
SCHEMBL27399025 0.72 ALDH1A1 (0.34) KDM4EALDH1A1MAPK1RXRAGRIN1
SCHEMBL31337239 0.72 GRIN2B (0.33) MAPK1PTGS2GRIN2B
SCHEMBL31337170 0.69 TGFBR1 (0.39) RXRAGRIN1GRIN2BTGFBR1OXTR
SCHEMBL27399892 0.69 PTGS2 (0.41) KDM4EALDH1A1MAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747241-A1 BENZIMIDAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-05-27 — — EP disclosed
WO-2025021537-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 — — WO disclosed
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