SCHEMBL7912964

SCHEMBL7912964

COC(=O)c1cc2c(nc1C)C(O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
OPRK1 P41145 6/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
GAA P10253 1/20 0.39
SLC9A1 P19634 1/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7913218 0.96 ACHE (0.42) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL7911353 0.87 KDM4E (0.52) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL7911302 0.86 ACHE (0.46) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL927361 0.84 ACHE (0.41) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL7913313 0.83 KDM4E (0.50) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL14884990 0.83 NPSR1 (0.36) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL927301 0.83 ACHE (0.41) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL7903015 0.82 ACHE (0.44) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL927383 0.80 OPRK1 (0.39) ACHEOPRK1KDM4EKMT2ANPC1
SCHEMBL7903007 0.79 SLC9A1 (0.39) KDM4EALDH1A1RAB9ASLC9A1SMN1; SMN2

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