SCHEMBL7903007

SCHEMBL7903007

Cc1nc2c(cc1C(=O)NC(=N)N)CCCCC2O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7902762 0.96 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1998766 0.88 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1998764 0.87 SLC9A1 (0.38) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7913174 0.87 SLC9A1 (0.38) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7916773 0.85 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL926591 0.85 SLC9A1 (0.39) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7911308 0.85 SLC9A1 (0.37) SLC9A1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8132938 0.84 SLC9A1 (0.36) SLC9A1
SCHEMBL927200 0.82 SLC9A1 (0.36) SLC9A1KDM4E
SCHEMBL929082 0.82 SLC9A1 (0.34) 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