SCHEMBL7015131

SCHEMBL7015131

Cc1cccc2nc(SCc3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3)n(C)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SETD7 Q8WTS6 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.47
SLC6A7 Q99884 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK10 P53779 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL7008899 0.91 SLC6A7 (0.52) KDM4EALDH1A1SLC6A7L3MBTL1TSHR
SCHEMBL7014333 0.87 HPGD (0.49) HPGDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7017962 0.86 LMNA (0.53) ALDH1A1MAPK1HSD17B10LMNATSHR
SCHEMBL7016066 0.85 MEN1 (0.47) HPGDALDH1A1MAPK1LMNATSHR
SCHEMBL7016083 0.85 HPGD (0.47) HPGDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7013876 0.84 SMN1; SMN2 (0.53) KDM4EHPGDALDH1A1MAPK1SLC6A7
SCHEMBL7018977 0.84 MEN1 (0.48) KDM4EHPGDALDH1A1MAPK1L3MBTL1
SCHEMBL7016908 0.84 SMN1; SMN2 (0.46) HPGDALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL7010368 0.84 SMN1; SMN2 (0.52) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL7015766 0.83 SMN1; SMN2 (0.49) HPGDALDH1A1MAPK1LMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed