SCHEMBL22092180

SCHEMBL22092180

O=C(O)NC/C(=C\F)Cn1nc2ccc(Br)cn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 13/20 0.51
▸ PDE10A Q9Y233 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ SLC5A1 P13866 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22206423 0.85 GPR139 (0.46) GPR139PDE10AKDM4ENPC1RXFP1
SCHEMBL22206303 0.82 GPR139 (0.47) GPR139PDE10AKDM4ERXFP1SLC5A1
Hydrochloric Acid SCHEMBL22206372 0.81 GPR139 (0.47) GPR139PDE10AKDM4ESLC5A1SLC5A2
SCHEMBL22206320 0.80 GPR139 (0.37) GPR139KDM4ENPC1ALDH1A1RAB9A
SCHEMBL22206319 0.80 GPR139 (0.37) GPR139KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17141321 0.76 GPR139 (0.58) GPR139PDE10AKDM4ENPC1ALDH1A1
SCHEMBL21382520 0.74 PPARD (0.45) —
SCHEMBL21382411 0.74 PPARD (0.45) —
SCHEMBL21382415 0.74 PPARD (0.45) —
SCHEMBL17141252 0.71 GPR139 (0.56) GPR139PDE10AKDM4EALDH1A1SLC5A1

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
EP-3894408-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-10-20 — — EP disclosed
WO-2020121263-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-06-18 — — WO disclosed
Send feedback