SCHEMBL28320555

SCHEMBL28320555

FC(F)(F)c1ccnc(OCc2cccc(-c3cn[nH]n3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.67
▸ IDO1 P14902 9/20 0.60
▸ METAP2 P50579 6/20 0.44
▸ NOTUM Q6P988 1/20 0.42
▸ PHF8 Q9UPP1 1/20 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
SCHEMBL28321776 0.81 MRGPRX4 (0.45) MRGPRX4IDO1
SCHEMBL22469872 0.81 MRGPRX4 (1.00) MRGPRX4IDO1
SCHEMBL28320601 0.78 MRGPRX4 (0.46) MRGPRX4IDO1
SCHEMBL17969176 0.77 MRGPRX4 (0.43) MRGPRX4PHF8
SCHEMBL16399630 0.72 MRGPRX4 (0.40) MRGPRX4IDO1
SCHEMBL28321745 0.72 NOTUM (0.59) MRGPRX4IDO1METAP2NOTUMPHF8
SCHEMBL17969166 0.72 MRGPRX4 (0.39) MRGPRX4
SCHEMBL16399492 0.72 POLB (0.47) MRGPRX4IDO1
SCHEMBL28320545 0.70 IDO1 (0.58) MRGPRX4IDO1METAP2NOTUMPHF8
SCHEMBL28320524 0.69 IDO1 (0.76) MRGPRX4IDO1METAP2NOTUM

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
Send feedback