SCHEMBL7809691

SCHEMBL7809691

CC(=O)c1c(NC(C)c2ccccc2)c2cccc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
KMT2A Q03164 3/20 0.42
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ALOX5 P09917 1/20 0.38
CCNE2 O96020 3/20 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
SCHEMBL7809564 0.73 CAPN1 (0.46) CAPN1KMT2AKIF11KDM4EMEN1
SCHEMBL7817120 0.71 CAPN1 (0.44) CAPN1KMT2AKIF11KDM4EMEN1
SCHEMBL7813860 0.71 CAPN1 (0.40) CAPN1KDM4EALDH1A1POLB
SCHEMBL9714150 0.70 CAPN1 (0.43) CAPN1KMT2AKIF11KDM4EMEN1
SCHEMBL7804041 0.70 ALDH1A1 (0.35) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7817118 0.69 CAPN1 (0.42) CAPN1KMT2AKIF11KDM4EMEN1
SCHEMBL7816980 0.68 KMT2A (0.40) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL7812826 0.68 KDM4E (0.38) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL8695228 0.67 CAPN1 (0.41) CAPN1KMT2AKIF11KDM4EMEN1
SCHEMBL7816816 0.65 ALDH1A1 (0.40) CAPN1KMT2AMEN1ALDH1A1LMNA

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 3 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
WO-1992017452-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-15 WO disclosed