SCHEMBL7913282

SCHEMBL7913282

COCc1nc2c(cc1C(=O)OC)CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 8/20 0.45
ALDH1A1 P00352 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 4/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KMT2A Q03164 4/20 0.44
PPARG P37231 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SLC9A1 P19634 1/20 0.43
ACHE P22303 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL7912966 0.82 KDM4E (0.43) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL31345629 0.80 KDM4E (0.50) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL927885 0.80 SLC9A1 (0.60) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL26617630 0.80 KDM4E (0.50) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL26617915 0.80 KDM4E (0.50) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL30681912 0.79 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7911369 0.79 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7913301 0.79 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL26618036 0.79 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10472947 0.79 KDM4E (0.51) KDM4ERAB9AALDH1A1NPC1SMN1; 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