SCHEMBL31108804

SCHEMBL31108804

COCc1cc(C(=O)N(C)c2ccc(F)c(OC)c2)cn2c(I)cnc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALKBH1 Q13686 2/20 0.37
▸ MCHR1 Q99705 7/20 0.34
▸ POLB P06746 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ OXTR P30559 1/20 0.31

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
SCHEMBL31108805 0.87 POLB (0.36) ALKBH1MCHR1POLBORAI1TP53
SCHEMBL31108817 0.83 MC4R (0.43) POLBORAI1
SCHEMBL31108807 0.81 SYK (0.38) ALKBH1MCHR1POLBORAI1
SCHEMBL31108818 0.81 MC4R (0.36) ALKBH1MCHR1ORAI1
SCHEMBL31108784 0.81 MC4R (0.36) ALKBH1MCHR1ORAI1
SCHEMBL31244528 0.79 POLB (0.36) ALKBH1POLBORAI1TP53HSD17B1
SCHEMBL31108825 0.78 ALKBH1 (0.35) ALKBH1MCHR1OXTR
SCHEMBL31108826 0.78 ALKBH1 (0.35) ALKBH1MCHR1OXTR
SCHEMBL31244538 0.78 POLB (0.35) ALKBH1POLBORAI1TP53HSD17B1
SCHEMBL31244529 0.78 POLB (0.35) ALKBH1POLBORAI1TP53HSD17B1

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-4694686-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2026-02-18 — — EP disclosed
WO-2024213720-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-10-17 — — WO disclosed
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