SCHEMBL7960882

SCHEMBL7960882

CCOC(=O)c1cc2cccc3c2n1CCCC3=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
PDE3B Q13370 7/20 0.42
PDE3A Q14432 7/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL7946988 0.93 KDM4E (0.43) MCL1ALOX5MEN1KMT2AKDM4E
SCHEMBL7958074 0.84 MCL1 (0.66) MCL1PDE3BPDE3AALOX5MAPK1
SCHEMBL7955774 0.84 MAPK1 (0.43) PDE3BPDE3AALOX5MAPK1MEN1
SCHEMBL7954130 0.81 ALDH1A1 (0.45) PDE3BPDE3AMAPK1MEN1KMT2A
SCHEMBL7946984 0.80 PDE3B (0.45) MCL1PDE3BPDE3AALOX5MAPK1
SCHEMBL2347720 0.79 MCL1 (0.54) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7954132 0.78 MAPK1 (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7958065 0.76 ALDH1A1 (0.44) PDE3BPDE3AMAPK1MEN1KMT2A
SCHEMBL7954146 0.76 KDM4E (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30417424 0.76 KDM4E (0.41) MCL1ALOX5MEN1KMT2AKDM4E

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
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed