SCHEMBL28657102

SCHEMBL28657102

NC(=O)OCc1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
NQO1 P15559 1/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL7484116 0.72 FABP4 (0.31)
Hydrochloric Acid SCHEMBL22397824 0.71 CACNA1H (0.39)
SCHEMBL31099577 0.69 CDK8 (0.36) P2RX7AHR
SCHEMBL15778792 0.69 FABP4 (0.31)
SCHEMBL28573934 0.68 LOXL2 (0.36) P2RX7
SCHEMBL4883231 0.68 TSHR (0.46)
SCHEMBL28914438 0.66 MAOB (0.39)
SCHEMBL31752130 0.65 CACNA1B (0.38)
SCHEMBL28930346 0.65 ALDH1A1 (0.40)
SCHEMBL21624605 0.65 TBXAS1 (0.44) NQO1

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-112888677-A Substituted 4-amino-1H-imidazo [4,5-c ] quinoline compounds and improved process for their preparation 先天肿瘤免疫公司 2021-06-01 CN disclosed