SCHEMBL7956072

SCHEMBL7956072

CCOC(=O)c1c(C)c2cccc3c2n1CCC3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MCL1 Q07820 3/20 0.46
USP2 O75604 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
PRKDC P78527 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL10586357 0.76 KDM4E (0.49) KDM4EUSP2ALDH1A1MAPK1MEN1
SCHEMBL13851541 0.76 MEN1 (0.61) KDM4EMCL1USP2ALDH1A1HPGD
SCHEMBL7946988 0.76 KDM4E (0.43) KDM4EMCL1ALDH1A1HPGDGAA
SCHEMBL7954146 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7955833 0.72 MCL1 (0.38) KDM4EMCL1USP2ALDH1A1SMN1; SMN2
SCHEMBL7955763 0.71 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7960882 0.71 MCL1 (0.46) KDM4EMCL1ALDH1A1HPGDGAA
SCHEMBL7955838 0.71 MCL1 (0.38) KDM4EMCL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19635001 0.70 MCL1 (0.51) MCL1
SCHEMBL7955774 0.69 MAPK1 (0.43) KDM4EALDH1A1HPGDGAAHSD17B10

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