SCHEMBL23966880

SCHEMBL23966880

CSNC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(F)cc3[nH]2)c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.67
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
AKR1B1 P15121 3/20 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
SCHEMBL23908998 0.89 S1PR2 (0.83) S1PR2AKR1B1
SCHEMBL23908866 0.89 S1PR2 (0.68) S1PR2POLBATMMAPTTP53
SCHEMBL23915668 0.86 S1PR2 (0.66) S1PR2POLBATMMAPTTP53
SCHEMBL23915328 0.86 S1PR2 (0.68) S1PR2POLBATMAKR1B1
SCHEMBL23908732 0.83 S1PR2 (0.71) S1PR2POLBMAPTTP53
SCHEMBL23966890 0.83 S1PR2 (0.62) S1PR2POLBATMMAPTAKR1B1
SCHEMBL23909034 0.81 S1PR2 (0.81) S1PR2AKR1B1
SCHEMBL23908760 0.80 S1PR2 (0.67) S1PR2POLBATMMAPTTP53
SCHEMBL23909082 0.79 S1PR2 (0.57) S1PR2POLBAKR1B1
SCHEMBL23908887 0.79 S1PR2 (0.94) S1PR2AKR1B1

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