SCHEMBL11560494

SCHEMBL11560494

CS(=O)(=O)/C(C#N)=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 3/20 0.55
APEH P13798 1/20 0.55
PKM P14618 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 4/20 0.48
NEK2 P51955 2/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ALPG P10696 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 1/20 0.47
MAPT P10636 2/20 0.44

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
SCHEMBL11560496 1.00 PPME1 (0.55) PPME1APEHPKML3MBTL1MEN1
SCHEMBL19002422 0.86 BTK (0.53) PPME1APEHPKML3MBTL1MEN1
SCHEMBL4144065 0.82 NEK2 (0.49) PPME1APEHPKML3MBTL1MEN1
SCHEMBL4144063 0.82 NEK2 (0.49) PPME1APEHPKML3MBTL1MEN1
SCHEMBL9163842 0.81 PPME1 (0.58) PPME1APEHPKML3MBTL1MEN1
SCHEMBL11563220 0.80 PPME1 (0.57) PPME1APEHPKML3MBTL1MEN1
SCHEMBL4912425 0.80 PKM (0.79) PPME1PKML3MBTL1MEN1KMT2A
SCHEMBL4909612 0.80 PKM (0.79) PPME1PKML3MBTL1MEN1KMT2A
SCHEMBL4909621 0.80 PKM (0.79) PPME1PKML3MBTL1MEN1KMT2A
SCHEMBL9162141 0.80 ALDH1A1 (0.60) PKML3MBTL1MEN1KMT2AKDM4E

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-4162321-A Sulphur-containing amino-dihydropyridines, and their use as medicants BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed