SCHEMBL7913231

SCHEMBL7913231

Cc1nc2c(cc1C(=O)NC(=N)N)CCCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.41
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ACHE P22303 3/20 0.31

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
SCHEMBL7903042 0.84 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7912931 0.83 SLC9A1 (0.59) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL927184 0.82 SLC9A1 (0.61) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7916794 0.82 SLC9A1 (0.61) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7911328 0.82 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7911332 0.82 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7910322 0.80 SLC9A1 (0.43) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7910297 0.79 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7910302 0.79 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7910318 0.79 MAPT (0.43) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1

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