SCHEMBL9669489

SCHEMBL9669489

CCCCNCCCNC1c2ccccc2NC(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NLRP3 Q96P20 1/20 0.40
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.36
SMPD1 P17405 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDGFRA P16234 1/20 0.36
FER P16591 1/20 0.36
LTK P29376 1/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL9670156 0.82 BCHE (0.48) BCHEACHEKDM4EALDH1A1HSD17B10
SCHEMBL9669370 0.81 BCHE (0.47) BCHEACHEALDH1A1SMN1; SMN2PDGFRA
SCHEMBL9669351 0.81 BCHE (0.47) BCHEACHEKDM4EALDH1A1HSD17B10
SCHEMBL9669494 0.79 BCHE (0.43) BCHEACHEKDM4EALDH1A1MEN1
SCHEMBL22184064 0.77 ACHE (1.00) BCHEACHEKDM4EALDH1A1MEN1
SCHEMBL10338752 0.75 KDM4E (0.57) BCHEACHEKDM4EALDH1A1HSD17B10
SCHEMBL3259666 0.72 BCHE (0.89) BCHEACHEMEN1KMT2A
SCHEMBL28859790 0.68 SIGMAR1 (0.55) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL9669472 0.68 CHEK1 (0.41) BCHEACHEKDM4EALDH1A1MEN1
SCHEMBL12281008 0.67 ACHE (0.79) BCHEACHEMEN1KMT2ACHRM2

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-0273401-B1 ISOINDOLIN-1-ONE DERIVATIVE AND ANTIARRHYTHMIC AGENT KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-11-11 EP disclosed
US-4849441-A Isoindolin-1-one derivative and antiarrhythmic agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-07-18 US disclosed
EP-0273401-A1 Isoindolin-1-one derivative and antiarrhythmic agent KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-07-06 EP disclosed