SCHEMBL28320601

SCHEMBL28320601

FC(F)(F)c1ccnc(OCc2cccc(-c3cnn[nH]3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.46
▸ SLC2A1 P11166 1/20 0.39
▸ SCN2A Q99250 2/20 0.38
▸ AGXT P21549 1/20 0.38
▸ MAOB P27338 3/20 0.38
▸ CNR2 P34972 4/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL28321776 0.79 MRGPRX4 (0.45) MRGPRX4SLC2A1AGXTMAOBHTR6
SCHEMBL28320555 0.78 MRGPRX4 (0.67) MRGPRX4IDO1
SCHEMBL16399630 0.77 MRGPRX4 (0.40) MRGPRX4SLC2A1AGXTMAOBHTR6
SCHEMBL5020244 0.76 SCN2A (0.56) SCN2ANPY5RIDO1
SCHEMBL17969166 0.76 MRGPRX4 (0.39) MRGPRX4AGXTMAOB
SCHEMBL16399492 0.74 POLB (0.47) MRGPRX4MAOBIDO1
SCHEMBL17969176 0.72 MRGPRX4 (0.43) MRGPRX4AGXT
SCHEMBL28876791 0.72 NR1H2 (0.40) MRGPRX4
SCHEMBL28320645 0.70 SRD5A2 (0.43) MRGPRX4SCN2AMAOB
SCHEMBL28321746 0.70 NFE2L2 (0.49) SCN2AMAOBNPY5RIDO1

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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