SCHEMBL23966875

SCHEMBL23966875

O=C(Cn1nc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2ccccc2c1=O)NC1CCSCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.74
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL23908745 0.91 S1PR2 (0.73) S1PR2NPSR1THRBMAPT
SCHEMBL23908915 0.87 S1PR2 (0.72) S1PR2NPSR1MAPTTP53
SCHEMBL23966571 0.87 S1PR2 (0.84) S1PR2MAPTTP53
SCHEMBL23908925 0.85 S1PR2 (1.00) S1PR2
SCHEMBL23908926 0.83 S1PR2 (0.86) S1PR2TP53
SCHEMBL23908975 0.82 S1PR2 (0.76) S1PR2
SCHEMBL23914706 0.81 S1PR2 (0.82) S1PR2TP53
SCHEMBL23966542 0.81 S1PR2 (0.82) S1PR2
SCHEMBL23908845 0.81 S1PR2 (0.73) S1PR2
SCHEMBL23914728 0.80 S1PR2 (0.80) S1PR2TP53

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed