SCHEMBL28321745

SCHEMBL28321745

FC(F)(F)c1ccc(COc2cccc(-c3cn[nH]n3)c2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.59
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ IDO1 P14902 7/20 0.51
▸ METAP2 P50579 6/20 0.45
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ PHF8 Q9UPP1 2/20 0.41

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
SCHEMBL28320545 0.82 IDO1 (0.58) NOTUMMRGPRX4IDO1METAP2NR1H2
SCHEMBL28320824 0.81 NR1H2 (0.39) MRGPRX4NR1H2NR1H3
SCHEMBL28876791 0.77 NR1H2 (0.40) MRGPRX4NR1H2NR1H3
SCHEMBL16397726 0.76 ERBB2 (0.44) MRGPRX4NR1H2NR1H3PHF8
SCHEMBL21792289 0.76 NOTUM (1.00) NOTUMIDO1METAP2
SCHEMBL21944599 0.73 APP (0.56) MRGPRX4
SCHEMBL28320555 0.72 MRGPRX4 (0.67) NOTUMMRGPRX4IDO1METAP2PHF8
SCHEMBL16399337 0.72 NR1H2 (0.38) MRGPRX4NR1H2NR1H3
SCHEMBL16399407 0.71 CYP11B1 (0.39) MRGPRX4NR1H2NR1H3
SCHEMBL22469872 0.70 MRGPRX4 (1.00) MRGPRX4IDO1

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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