SCHEMBL9360715

SCHEMBL9360715

CCCCNC(=O)CSc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
HTT P42858 2/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 3/20 0.48
RXFP1 Q9HBX9 2/20 0.47
ANPEP P15144 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
PRNP P04156 1/20 0.45
TP53 P04637 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL23903436 0.77 HTT (0.72) HTTPKMALDH1A1HPGDRXFP1
SCHEMBL8621310 0.76 HTT (0.52) HTTPKMALDH1A1POLBHPGD
SCHEMBL8389804 0.76 HTT (0.52) HTTPKMALDH1A1POLBHPGD
SCHEMBL8590012 0.76 HTT (0.52) HTTPKMALDH1A1POLBHPGD
SCHEMBL9808286 0.76 HTT (0.56) MAPTGAAHTTPKMKDM4E
SCHEMBL9361495 0.75 ANPEP (0.44) MAPTGAAHTTPKMKDM4E
SCHEMBL23903005 0.75 HTT (0.54) HTTPKMALDH1A1HPGDHSD17B10
SCHEMBL9364534 0.75 AR (0.44) MAPTPKMLMNACNR2
SCHEMBL9361389 0.73 CNR2 (0.45) CNR2
SCHEMBL9808054 0.73 HTT (0.49) MAPTGAAHTTPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed