SCHEMBL7902995

SCHEMBL7902995

N=C(N)NC(=O)c1cc2c(nc1-c1cccs1)CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
HTT P42858 3/20 0.37
POLB P06746 5/20 0.37
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7910258 0.82 SLC9A1 (0.41) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL7912979 0.78 EEF2K (0.39) SLC9A1ALDH1A1HPGDLMNANPC1
SCHEMBL7916809 0.76 SLC9A1 (0.45) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL927183 0.76 SLC9A1 (0.45) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL927184 0.76 SLC9A1 (0.61) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL7916794 0.76 SLC9A1 (0.61) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL7902964 0.75 KDM4E (0.58) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL7912931 0.74 SLC9A1 (0.59) SLC9A1ALDH1A1LMNATP53NPC1
SCHEMBL926631 0.74 SLC9A1 (0.43) SLC9A1ALDH1A1HPGDLMNATP53
SCHEMBL7902791 0.73 SLC9A1 (0.45) SLC9A1ALDH1A1HPGDLMNATP53

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