SCHEMBL9714150

SCHEMBL9714150

CC(=O)c1c(SS(C)(=O)=O)c2cccc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G7 Q13093 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 2/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
MPL P40238 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7809564 0.85 CAPN1 (0.46) CAPN1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL7817120 0.76 CAPN1 (0.44) CAPN1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL7817118 0.76 CAPN1 (0.42) CAPN1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL8695228 0.70 CAPN1 (0.41) CAPN1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL7809691 0.70 CAPN1 (0.43) CAPN1KIF11KDM4ESMN1; SMN2MEN1
SCHEMBL7809628 0.69 KDM4E (0.43) KDM4EPARP1
SCHEMBL7809501 0.67 CAPN1 (0.34) CAPN1KDM4EMEN1KMT2A
SCHEMBL7809688 0.67 CAPN1 (0.40) CAPN1KDM4EALDH1A1HSD17B10
SCHEMBL7810952 0.66 RXFP1 (0.47) KDM4E
SCHEMBL8061046 0.66 SMN1; SMN2 (0.54) CAPN1KIF11KDM4ESMN1; SMN2MEN1

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
WO-1992017452-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-15 WO disclosed