SCHEMBL7916722

SCHEMBL7916722

COc1nc2c(cc1C(=O)NC(=N)N)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.45
KDM4E B2RXH2 4/20 0.43
POLB P06746 5/20 0.40
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
TP53 P04637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
EEF2K O00418 1/20 0.39
GRM1 Q13255 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
GPR6 P46095 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 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
SCHEMBL927184 0.84 SLC9A1 (0.61) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7916794 0.84 SLC9A1 (0.61) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7912966 0.82 KDM4E (0.43) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7912931 0.82 SLC9A1 (0.59) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL926631 0.81 SLC9A1 (0.43) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL927183 0.81 SLC9A1 (0.45) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7916809 0.81 SLC9A1 (0.45) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7902791 0.81 SLC9A1 (0.45) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7913104 0.81 KDM4E (0.45) SLC9A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL7911369 0.80 KDM4E (0.49) SLC9A1KDM4EPOLBMAPTSMN1; SMN2

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