SCHEMBL23966579

SCHEMBL23966579

CC(F)(F)COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.75
TSHR P16473 1/20 0.44
CMA1 P23946 2/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL23909050 0.94 S1PR2 (0.77) S1PR2TSHRCMA1ALOX15
SCHEMBL23914696 0.92 S1PR2 (0.64) S1PR2TSHR
SCHEMBL23915077 0.90 S1PR2 (0.83) S1PR2TSHRCMA1ALOX15
SCHEMBL23908889 0.89 S1PR2 (0.93) S1PR2TSHRCMA1ALOX15
SCHEMBL23909020 0.88 S1PR2 (0.78) S1PR2
SCHEMBL23914695 0.87 S1PR2 (0.79) S1PR2TSHRCMA1ALOX15
SCHEMBL23908887 0.87 S1PR2 (0.94) S1PR2TSHRCMA1ALOX15
SCHEMBL23915019 0.87 S1PR2 (0.77) S1PR2TSHRCMA1ALOX15
SCHEMBL23908951 0.86 S1PR2 (1.00) S1PR2TSHRCMA1ALOX15
SCHEMBL23908925 0.86 S1PR2 (1.00) S1PR2TSHRCMA1ALOX15

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