SCHEMBL7913155

SCHEMBL7913155

CCOC(=O)c1cc2c(nc1COCc1cccnc1)CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 10/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 3/20 0.45
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LMNA P02545 4/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7902812 0.80 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7911271 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7916727 0.78 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7913027 0.76 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7910346 0.76 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7910307 0.74 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7910337 0.73 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7903030 0.73 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7902779 0.73 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7913287 0.73 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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