SCHEMBL7916778

SCHEMBL7916778

Cc1nc2c(cc1C(=O)NC(=N)N)C(O[Si](C)(C)C(C)(C)C)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL7911273 0.84 ALDH1A1 (0.33) SLC9A1HPGDTSHRKDM4EALDH1A1
SCHEMBL928773 0.83 SLC9A1 (0.35) SLC9A1ACHE
SCHEMBL928776 0.82 SLC9A1 (0.34) SLC9A1ACHE
SCHEMBL927447 0.80 SLC9A1 (0.39) SLC9A1HPGDTSHRKDM4EALDH1A1
SCHEMBL7913223 0.80 ACHE (0.44) TSHRKDM4EALDH1A1HSD17B10ACHE
SCHEMBL7911358 0.79 SLC9A1 (0.38) SLC9A1HPGDTSHRKDM4EALDH1A1
SCHEMBL7912931 0.73 SLC9A1 (0.59) SLC9A1KDM4EALDH1A1ACHE
SCHEMBL7916794 0.72 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1ACHE
SCHEMBL927184 0.72 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1ACHE
SCHEMBL7916773 0.72 SLC9A1 (0.37) SLC9A1KDM4EALDH1A1ACHE

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