SCHEMBL7913174

SCHEMBL7913174

Cc1nc2c(cc1C(=O)NC(=N)N)CCCCC2Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ACHE P22303 3/20 0.31
NR2F2 P24468 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL8132938 0.97 SLC9A1 (0.36) SLC9A1
SCHEMBL7903007 0.87 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1998766 0.87 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1998764 0.86 SLC9A1 (0.38) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL926591 0.84 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7916773 0.84 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7911308 0.84 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7902762 0.84 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7911358 0.82 SLC9A1 (0.38) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL927200 0.81 SLC9A1 (0.36) SLC9A1KDM4E

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