SCHEMBL28372148

SCHEMBL28372148

Nc1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
MAPK1 P28482 1/20 0.68
CYP3A4 P08684 2/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PTGS1 P23219 3/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL31000868 1.00 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL24710389 0.90 TSHR (0.61) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL9859933 0.90 TSHR (0.61) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL24961819 0.83 PGK1 (0.44) TSHRMAPK1ALDH1A1CA1CA2
SCHEMBL126398 0.82 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29373758 0.82 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL10493904 0.82 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL3867382 0.82 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29799449 0.82 TSHR (0.68) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL10714404 0.81 TSHR (0.74) TSHRMAPK1CYP3A4CASP1RECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110961151-B Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2022-08-12 CN claimed
CN-110961151-A Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2020-04-07 CN claimed
CN-110961151-B Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2022-08-12 CN disclosed
CN-110961151-A Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2020-04-07 CN disclosed