SCHEMBL31414516

SCHEMBL31414516

CNC(=O)N1Cc2cccc(Br)c2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 5/20 0.52
▸ TRAP1 Q12931 1/20 0.49
▸ TAS1R3 Q7RTX0 3/20 0.43
▸ TAS1R1 Q7RTX1 3/20 0.43
▸ TAS1R2 Q8TE23 3/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ CARM1 Q86X55 3/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ NAMPT P43490 7/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.40

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
SCHEMBL15029231 0.84 TRAP1 (0.49) TRAP1TAS1R3TAS1R1TAS1R2NOTUM
SCHEMBL4437645 0.80 ABHD6 (0.57) ABHD6TRAP1NOTUMCARM1PRMT6
SCHEMBL7602212 0.79 NOTUM (0.61) TAS1R3TAS1R1TAS1R2NOTUMNAMPT
SCHEMBL16101789 0.75 ABHD6 (0.52) ABHD6TRAP1NOTUM
SCHEMBL29421757 0.75 ABHD6 (0.62) ABHD6TRAP1NAMPT
SCHEMBL3578620 0.75 ABHD6 (0.62) ABHD6TRAP1NAMPT
SCHEMBL12164470 0.73 ABHD6 (0.67) ABHD6TRAP1NOTUMCARM1PRMT6
SCHEMBL17887847 0.72 ABHD6 (0.49) ABHD6TRAP1NOTUMCARM1PRMT6
SCHEMBL31070514 0.72 TRPV1 (0.49) ABHD6TRAP1TAS1R3TAS1R1TAS1R2
SCHEMBL12269322 0.72 NOTUM (0.61) ABHD6TRAP1NOTUMCARM1BAZ2B

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-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 — — EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 — — WO disclosed
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