SCHEMBL7910243

SCHEMBL7910243

COC(=O)c1cc2c(nc1C)C(=NO)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
GAA P10253 1/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC9A1 P19634 1/20 0.37
OPRK1 P41145 2/20 0.36
LMNA P02545 2/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL7910240 1.00 ACHE (0.44) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL7910321 0.88 ACHE (0.43) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL7910323 0.88 ACHE (0.43) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL7912975 0.82 ACHE (0.46) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL7902989 0.80 ACHE (0.46) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL7911332 0.79 SLC9A1 (0.39) ALDH1A1NPC1RAB9ASLC9A1LMNA
SCHEMBL7911328 0.79 SLC9A1 (0.39) ALDH1A1NPC1RAB9ASLC9A1LMNA
SCHEMBL12797321 0.75 ACHE (0.41) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL927885 0.73 SLC9A1 (0.60) ACHEGAAKDM4EKMT2AALDH1A1
SCHEMBL9880191 0.73 HPGD (0.41) KDM4EKMT2AALDH1A1NPC1RAB9A

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