SCHEMBL7954102

SCHEMBL7954102

CCOC(=O)c1cc2c(C)ccc3c2n1CCC3

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 3/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.43
MCL1 Q07820 3/20 0.43
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 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
SCHEMBL7954141 0.88 MAPK1 (0.52) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7955774 0.84 MAPK1 (0.43) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7946959 0.83 MAPK1 (0.47) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7958074 0.82 MCL1 (0.66) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7954130 0.81 ALDH1A1 (0.45) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL10424058 0.80 KDM4E (0.49) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7954146 0.79 KDM4E (0.41) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL10907436 0.78 MAPK1 (0.51) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7957927 0.77 MCL1 (0.43) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL7957916 0.76 DRD3 (0.40) KMT2AKDM4EALDH1A1LMNAMAPT

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