SCHEMBL11265724

SCHEMBL11265724

CCCCCCCCCCCCN1C(=O)CNC1=S

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.52
ALDH1A1 P00352 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 5/20 0.46
FAAH O00519 4/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.41

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
SCHEMBL5955190 0.98 QPCT (0.54) QPCTALDH1A1GAASMN1; SMN2MGLL
SCHEMBL11581023 0.86 QPCT (0.47) QPCTALDH1A1GAASMN1; SMN2MGLL
SCHEMBL9805915 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805872 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805882 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805873 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805934 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805904 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805920 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2
SCHEMBL9805866 0.84 MGLL (0.50) MGLLFAAHPTGS1PTGS2

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
US-4360588-A MEROCYANINE DYES CIBA-GEIGY AG (CH) 1982-11-23 US disclosed