SCHEMBL7916715

SCHEMBL7916715

CCOC(=O)/C=C(/N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.48
TBXAS1 P24557 3/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6629937 1.00 F7 (0.50) F7F3SARM1SIRT2SIRT6
SCHEMBL30930819 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTTBXAS1TP53
SCHEMBL2422440 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTTBXAS1TP53
SCHEMBL15765091 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTTBXAS1TP53
SCHEMBL2422438 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTTBXAS1TP53
SCHEMBL29105669 0.84 ALDH1A1 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL6947971 0.84 ALDH1A1 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL29882651 0.84 ALDH1A1 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL6947970 0.84 ALDH1A1 (0.58) F7F3SARM1SIRT2SIRT6
SCHEMBL2891426 0.82 KMT2A (0.44) ALDH1A1MAPTKMT2ALMNAMEN1

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