SCHEMBL4439618

SCHEMBL4439618

CCc1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.62
HNF4A P41235 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
PARP1 P09874 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
IKBKB O14920 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL5476512 0.87 BCAT2 (0.59) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL4444936 0.87 BCAT2 (0.53) BCAT2MEN1KMT2ALTB4R2FGFR1
SCHEMBL10984209 0.86 HNF4A (0.58) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL27787423 0.85 BCAT2 (0.65) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL4434798 0.83 BCAT2 (0.44) BCAT2MEN1KMT2AKEAP1NFE2L2
SCHEMBL28061001 0.83 MKNK1 (0.51) BCAT2PARP1SIRT2SIRT1
SCHEMBL28422901 0.82 ALDH1A1 (0.50) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL4065283 0.82 MYC (0.47) BCAT2MEN1KMT2AKEAP1NFE2L2
SCHEMBL45719 0.82 PARP1 (0.51) BCAT2MEN1KMT2AKEAP1NFE2L2
SCHEMBL23647145 0.81 PKN1 (0.46) BCAT2KEAP1NFE2L2PARP1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118477012-B Collagen-containing anti-wrinkle tightening composition and application thereof in cosmetics 广州品域美妆创新科技有限公司 2025-01-21 CN disclosed
EP-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed
US-4536591-A Insecticidal [1,1'-biphenyl]-3-ylmethyl esters FMC CORPORATION (US) 1985-08-20 US disclosed
US-4402973-A Insecticidal (1,1'-biphenyl)-3-ylmethyl esters FMC CORPORATION (US) 1983-09-06 US disclosed
US-4329518-A INSECTICIDES, ACARICIDES, MITICIDES FMC CORPORATION (US) 1982-05-11 US disclosed
EP-0049977-A1 Insecticidal (1,1'-biphenyl)-3-ylmethyl esters, their production and use and compositions containing them FMC Corporation (US) 1982-04-21 EP disclosed