SCHEMBL7903035

SCHEMBL7903035

Cc1nc2c(cc1C(=O)NC(=N)N)CCCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HSP90AA1 P07900 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 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
SCHEMBL7912931 0.79 SLC9A1 (0.59) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL8132938 0.78 SLC9A1 (0.36) SLC9A1
SCHEMBL7916794 0.78 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL927184 0.78 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7913174 0.77 SLC9A1 (0.38) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7913231 0.76 SLC9A1 (0.41) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7913221 0.74 KDM4E (0.50) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7902762 0.74 SLC9A1 (0.37) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7913113 0.74 SLC9A1 (0.37) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7911308 0.74 SLC9A1 (0.37) SLC9A1KDM4EALDH1A1LMNAMAPT

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