SCHEMBL7902964

SCHEMBL7902964

CCOC(=O)c1cc2c(nc1-c1cccs1)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 10/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PPARG P37231 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
GAA P10253 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
MAPT P10636 4/20 0.43
ACHE P22303 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL7911363 0.82 KDM4E (0.62) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL18779351 0.81 KDM4E (0.64) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL8198831 0.78 KDM4E (0.64) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7911271 0.77 KDM4E (0.57) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7903030 0.77 KDM4E (0.73) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7902779 0.77 KDM4E (0.73) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL18779361 0.77 KDM4E (0.59) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL2899414 0.76 KDM4E (0.71) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL8187383 0.76 KDM4E (0.61) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7913070 0.76 KDM4E (0.75) KDM4EALDH1A1KMT2ASMN1; SMN2PPARG

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