SCHEMBL11580970

SCHEMBL11580970

Cc1ccccc1C=C(C#N)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 5/20 0.48
APEH P13798 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.41
RECQL P46063 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NEK2 P51955 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29289215 0.83 ALDH1A1 (0.58) PPME1MEN1KMT2AKDM4EALDH1A1
SCHEMBL29289218 0.83 ALDH1A1 (0.58) PPME1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11563828 0.82 PPME1 (0.47) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11562973 0.82 TRPA1 (0.57) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11567151 0.80 KDM4E (0.58) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11557463 0.78 LMNA (0.52) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11560496 0.77 PPME1 (0.55) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11560494 0.77 PPME1 (0.55) PPME1APEHMEN1KMT2AKDM4E
SCHEMBL11564974 0.77 MAPT (0.54) PPME1APEHMEN1KMT2AALDH1A1
SCHEMBL3369333 0.74 MAPT (0.63) MEN1KMT2AKDM4EALDH1A1MAPT

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