SCHEMBL7910318

SCHEMBL7910318

Cc1nc2c(cc1C(=O)NC(=N)N)CCCC/C2=C\c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 3/20 0.38
F2 P00734 10/20 0.36
F10 P00742 10/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC9A1 P19634 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PLAU P00749 1/20 0.34
HPN P05981 1/20 0.34
MIF P14174 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7913294 0.89 MAPT (0.41) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7913231 0.79 SLC9A1 (0.41) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7910341 0.78 KDM4E (0.46) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7910349 0.78 KDM4E (0.46) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7910347 0.78 KDM4E (0.46) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7903042 0.76 SLC9A1 (0.39) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10899038 0.76 RAB9A (0.47) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10899031 0.76 RAB9A (0.47) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7912931 0.75 SLC9A1 (0.59) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7916794 0.74 SLC9A1 (0.61) MAPTLMNASMN1; SMN2ALDH1A1MAPK1

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