SCHEMBL7958074

SCHEMBL7958074

CCOC(=O)c1cc2cccc3c2n1CCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.66
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 4/20 0.46
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX5 P09917 1/20 0.41
NOD2 Q9HC29 2/20 0.41
NOD1 Q9Y239 2/20 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
SCHEMBL2347720 0.92 MCL1 (0.54) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3127232 0.84 MCL1 (0.52) MCL1MEN1KMT2AMAPK1KDM4E
SCHEMBL7960882 0.84 MCL1 (0.46) MCL1MEN1KMT2AMAPK1KDM4E
SCHEMBL10907436 0.82 MAPK1 (0.51) MCL1MEN1KMT2AMAPK1KDM4E
SCHEMBL7954102 0.82 MAPK1 (0.54) MCL1MEN1KMT2AMAPK1KDM4E
SCHEMBL8558281 0.81 MCL1 (0.76) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3064664 0.80 MCL1 (1.00) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7946988 0.79 KDM4E (0.43) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7954141 0.78 MAPK1 (0.52) MCL1MEN1KMT2AMAPK1KDM4E
SCHEMBL3137864 0.77 KDM4E (0.60) MCL1MEN1KMT2AKDM4EPDE3B

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 5 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
US-4567177-A Imidazoline derivatives as α2 -antagonists SYNTHELABO (FR) 1986-01-28 US disclosed