SCHEMBL7809679

SCHEMBL7809679

CC(=O)c1c(NCCc2ccc(F)cc2)c2cc(Cl)cc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
POLB P06746 1/20 0.38
CAPN1 P07384 1/20 0.37
AURKB Q96GD4 2/20 0.36
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
CDK2 P24941 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7816816 0.91 ALDH1A1 (0.40) CNR1GPR84CAPN1AURKBLMNA
SCHEMBL9534081 0.89 POLB (0.38) GPR84POLBAURKBCNR2LMNA
SCHEMBL7804221 0.87 GPR84 (0.41) CNR1GPR84POLBCNR2LMNA
SCHEMBL7813747 0.84 CAPN1 (0.41) CNR1CAPN1CNR2HPGDALDH1A1
SCHEMBL8692858 0.82 CAPN1 (0.38) CAPN1MAPT
SCHEMBL8690699 0.81 CAPN1 (0.35) CAPN1
SCHEMBL8689581 0.80 CAPN1 (0.41) CNR1CAPN1CNR2MAPT
SCHEMBL8692993 0.77 CAPN1 (0.36) CNR1CAPN1CNR2
SCHEMBL7813860 0.77 CAPN1 (0.40) CNR1POLBCAPN1CNR2ALDH1A1
SCHEMBL8691014 0.76 CAPN1 (0.38) CAPN1KMT2A

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