SCHEMBL8799402

SCHEMBL8799402

CC(=O)OC(C)c1nc(C(C)C)c(Sc2cccc(F)c2)n1Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
SLC6A9 P48067 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SYK P43405 1/20 0.33
PABPC1 P11940 1/20 0.32

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
SCHEMBL6961698 0.93 S1PR3 (0.38) S1PR3ALDH1A1SYK
SCHEMBL8800780 0.90 PTGDR2 (0.35) KMT2AALDH1A1
SCHEMBL7086183 0.90 TP53 (0.35) GRIN1GRIN2BSLC6A9RXFP1KMT2A
SCHEMBL8800655 0.87 CFTR (0.41) S1PR3KMT2AALDH1A1
SCHEMBL8799639 0.86 GRIN1 (0.35) GRIN1GRIN2BSLC6A9KMT2AALDH1A1
SCHEMBL8800407 0.86 MEN1 (0.33) S1PR3KMT2AALDH1A1
SCHEMBL6973156 0.86 S1PR3 (0.38) S1PR3GRIN1GRIN2BSLC6A9RXFP1
SCHEMBL8800250 0.85 SLC6A9 (0.34) SLC6A9ALDH1A1PABPC1
SCHEMBL7084823 0.84 S1PR3 (0.39) S1PR3GRIN1GRIN2BSLC6A9KMT2A
SCHEMBL6974251 0.84 GRIN1 (0.38) S1PR3GRIN1GRIN2BKMT2AALDH1A1

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-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed