SCHEMBL7809700

SCHEMBL7809700

CC(=O)c1c(SCc2ccccc2C(C)(C)C)c2cc(Cl)cc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 3/20 0.35
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
CSF1R P07333 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DAO P14920 1/20 0.31
SNCA P37840 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLQ O75417 1/20 0.31

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
SCHEMBL7810983 0.85 CAPN1 (0.44) CAPN1MAPTTP53RXFP1ALDH1A1
SCHEMBL7809688 0.79 CAPN1 (0.40) CAPN1MAPTTP53RXFP1ALDH1A1
SCHEMBL7809706 0.77 CAPN1 (0.37) CAPN1MAPTTP53RXFP1ALDH1A1
SCHEMBL7813747 0.73 CAPN1 (0.41) CAPN1MAPTTP53RXFP1ALDH1A1
SCHEMBL7816816 0.72 ALDH1A1 (0.40) CAPN1TP53RXFP1ALDH1A1MEN1
SCHEMBL8689581 0.71 CAPN1 (0.41) CAPN1MAPTTP53RXFP1
SCHEMBL497120 0.71 CAPN1 (0.39) CAPN1MAPTTP53RXFP1CSF1R
SCHEMBL7804199 0.71 CAPN1 (0.34) CAPN1MAPTALDH1A1CSF1R
SCHEMBL8694714 0.71 CAPN1 (0.40) CAPN1
SCHEMBL8691893 0.70 CAPN1 (0.39) CAPN1MAPTTP53RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533882-B1 2-QUINOLINONE DERIVATIVES, METHODS FOR PREPARING THE SAME AND FUNGICIDES AND INSECTICIDES INCLUDING THEM KOREA RES INST CHEM TECH (KR) 2001-02-07 EP disclosed
US-5430153-A Insecticides, fungicides KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-04 US disclosed
EP-0533882-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-03-31 EP disclosed
WO-1992017452-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-15 WO disclosed