SCHEMBL7911292

SCHEMBL7911292

CCOC(=O)c1cc2c(nc1C)C=CCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.43
ACHE P22303 4/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL7902974 0.92 KDM4E (0.50) KDM4EALDH1A1ALOX15RAB9ANPC1
SCHEMBL7913304 0.78 ACHE (0.42) KDM4EALDH1A1RAB9ANPC1CASP3
SCHEMBL2301745 0.74 KDM4E (0.77) KDM4EALDH1A1ALOX15HSD17B10TSHR
SCHEMBL7902917 0.74 ACHE (0.49) KDM4EALDH1A1ALOX15RAB9ANPC1
SCHEMBL7913070 0.73 KDM4E (0.75) KDM4EALDH1A1ALOX15RAB9ANPC1
SCHEMBL7916322 0.73 SLC9A1 (0.33) KDM4E
SCHEMBL7902779 0.72 KDM4E (0.73) KDM4EALDH1A1ALOX15RAB9ANPC1
SCHEMBL7903030 0.72 KDM4E (0.73) KDM4EALDH1A1ALOX15RAB9ANPC1
SCHEMBL23394674 0.71
SCHEMBL14163994 0.69 KDM4E (0.51) KDM4EALDH1A1ALOX15RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed