SCHEMBL7016065

SCHEMBL7016065

Cc1cccc2nc(SCc3ccc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)n(C)c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 2/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 3/20 0.48

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
SCHEMBL7018977 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7016908 0.84 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7014333 0.84 HPGD (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7015766 0.83 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7010368 0.82 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7016083 0.81 HPGD (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7016066 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7018454 0.80 MEN1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7008899 0.79 SLC6A7 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7016154 0.79 MEN1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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