SCHEMBL7912931

SCHEMBL7912931

Cc1nc2c(cc1C(=O)NC(=N)N)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.59
SMN1; SMN2 Q16637 10/20 0.48
ALDH1A1 P00352 9/20 0.48
MAPT P10636 8/20 0.48
LMNA P02545 5/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 7/20 0.46
NR2F2 P24468 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 6/20 0.46
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPC1 O15118 6/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7916794 0.99 SLC9A1 (0.61) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL927184 0.99 SLC9A1 (0.61) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
Maleic Acid SCHEMBL7916788 0.92 SLC9A1 (0.54) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7910322 0.83 SLC9A1 (0.43) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7913231 0.83 SLC9A1 (0.41) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL927183 0.83 SLC9A1 (0.45) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7916809 0.83 SLC9A1 (0.45) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7913104 0.82 KDM4E (0.45) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7902791 0.82 SLC9A1 (0.45) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7916722 0.82 SLC9A1 (0.45) SLC9A1SMN1; SMN2ALDH1A1MAPTLMNA

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