SCHEMBL26070342

SCHEMBL26070342

N#Cc1[nH]nnc1-c1cc(OCc2ccc(C(F)(F)F)cc2F)cc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ FFAR1 O14842 1/20 0.35
▸ TRPA1 O75762 2/20 0.34
▸ AKT1 P31749 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ GPR119 Q8TDV5 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
SCHEMBL18004446 0.91 ESRRA (0.35) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004292 0.90 IDO1 (0.39) IDO1FFAR1AKT1HDAC1HDAC6
SCHEMBL18004306 0.89 IDO1 (0.38) IDO1FFAR1AKT1HDAC1HDAC6
SCHEMBL16399554 0.89 SRD5A2 (0.39) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004308 0.86 IDO1 (0.39) IDO1FFAR1AKT1HDAC1HDAC6
SCHEMBL18004214 0.86 MAOB (0.38) TRPA1SCN5ASCN9A
SCHEMBL18004399 0.83 ESRRA (0.35) IDO1
SCHEMBL18004211 0.83 ESRRA (0.36) —
SCHEMBL18004092 0.83 IDO1 (0.40) IDO1TRPA1AKT1
SCHEMBL18004167 0.83 TRPA1 (0.35) IDO1TRPA1SCN5ASCN9AUSP7

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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