SCHEMBL7910316

SCHEMBL7910316

Cc1nc2c(cc1C=O)CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 3/20 0.43
NR2F2 P24468 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 4/20 0.39
GRM1 Q13255 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
RUNX1 Q01196 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
SCHEMBL9682063 0.78 NPC1 (0.41) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9837302 0.77 ALDH1A1 (0.56) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9837306 0.77 ALDH1A1 (0.56) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8260539 0.75 RAB9A (0.48) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9681811 0.75 NPC1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTMAPK1
SCHEMBL22699151 0.74 ALDH1A1 (0.48) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7910295 0.72 SLC9A1 (0.65) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12507659 0.71 SMN1; SMN2 (0.48) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11729324 0.71 SMN1; SMN2 (0.48) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10314494 0.71 KDM4E (0.46) SLC9A1SMN1; SMN2ALDH1A1LMNAMAPT

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