SCHEMBL28510567

SCHEMBL28510567

Nc1cc(Oc2ccc(F)cc2F)ccn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.62
ALOX5AP P20292 2/20 0.53
FEN1 P39748 2/20 0.53
TRPA1 O75762 6/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL1136810 0.87 MET (0.55) METALOX5APFEN1NOS3NOS1
SCHEMBL29631575 0.87 MET (0.55) METALOX5APFEN1NOS3NOS1
Hydrochloric Acid SCHEMBL1137241 0.86 MET (0.54) METALOX5APFEN1NOS3NOS1
SCHEMBL797972 0.82 MET (0.54) METALOX5APFEN1NOS3NOS1
SCHEMBL28518598 0.81 TRPA1 (0.48) METTRPA1
SCHEMBL14742548 0.81 MET (0.49) METALOX5APFEN1NOS3NOS1
SCHEMBL30844467 0.79 HSPB1 (0.53) METALOX5APFEN1
SCHEMBL197935 0.79 HSPB1 (0.53) METALOX5APFEN1
SCHEMBL5124463 0.78 MET (0.56) METALOX5APFEN1NOS3NOS1
SCHEMBL4338310 0.78 MET (1.00) MET

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
CN-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 CN disclosed
CN-112300154-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2021-02-02 CN disclosed