SCHEMBL25213964

SCHEMBL25213964

CN(N)C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ KAT6A Q92794 3/20 0.46
▸ GPR139 Q6DWJ6 1/20 0.44
▸ F10 P00742 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ GPR142 Q7Z601 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL23735099 0.88 HDAC8 (0.56) HDAC8TAS1R3TAS1R1TAS1R2TRPM8
SCHEMBL20812217 0.84 HDAC8 (0.53) HDAC8TAS1R3TAS1R1TAS1R2TRPM8
SCHEMBL1557170 0.84 HDAC8 (0.53) HDAC8TAS1R3TAS1R1TAS1R2TRPM8
SCHEMBL8276072 0.82 HDAC8 (0.61) HDAC8TAS1R3TAS1R1TAS1R2TRPM8
SCHEMBL29742938 0.79 MAOB (0.55) HDAC8TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL29448761 0.79 PARP1 (0.61) TAS1R3TAS1R1TAS1R2TRPM8KAT6A
SCHEMBL711132 0.79 PARP1 (0.61) TAS1R3TAS1R1TAS1R2TRPM8KAT6A
SCHEMBL697586 0.79 MAOB (0.55) HDAC8TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL690501 0.79 KAT6A (0.54) HDAC8TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL7055657 0.78 MRGPRX4 (0.63) HDAC8TAS1R3TAS1R1TAS1R2KAT6A

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
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 — — WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 — — WO disclosed
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