SCHEMBL7809501

SCHEMBL7809501

CSc1c(C(C)=O)c(=O)[nH]c2c(C(F)(F)F)cc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.34
KDM4E B2RXH2 1/20 0.32
EPRS1 P07814 1/20 0.31
AR P10275 1/20 0.30
PADI4 Q9UM07 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7809688 0.85 CAPN1 (0.40) CAPN1KDM4EPADI4
SCHEMBL7809564 0.80 CAPN1 (0.46) CAPN1KDM4EPADI4MEN1KMT2A
SCHEMBL7804199 0.74 CAPN1 (0.34) CAPN1
SCHEMBL7803957 0.74 CAPN1 (0.36) CAPN1KDM4EPADI4KMT2A
SCHEMBL7813746 0.73 KDM4E (0.35) KDM4EPADI4
SCHEMBL7811068 0.72 KDM4E (0.35) CAPN1KDM4EPADI4
SCHEMBL7804202 0.71 GRIN1 (0.33) CAPN1
SCHEMBL497120 0.70 CAPN1 (0.39) CAPN1
SCHEMBL4707609 0.68 GRIN1 (0.46) KDM4EMEN1KMT2A
SCHEMBL7809628 0.68 KDM4E (0.43) KDM4EPADI4

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