SCHEMBL7019968

SCHEMBL7019968

Cc1cccc2nc(SCc3ccc(C(=O)c4ccc(C(=O)N5CCC(N6CCCCC6)CC5)cc4)cc3)n(C)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL3 Q96JM7 10/20 0.45
L3MBTL1 Q9Y468 9/20 0.45
MBTD1 Q05BQ5 6/20 0.45
HRH3 Q9Y5N1 3/20 0.44
TP53 P04637 2/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL7009962 0.89 MEN1 (0.44) SMN1; SMN2TP53MEN1ALDH1A1KMT2A
SCHEMBL7016083 0.87 HPGD (0.47) SMN1; SMN2TP53MEN1ALDH1A1KMT2A
SCHEMBL7015766 0.86 SMN1; SMN2 (0.49) SMN1; SMN2HRH3TP53MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7021337 0.86 HRH3 (0.46) HRH3
SCHEMBL7016154 0.85 MEN1 (0.45) SMN1; SMN2TP53MEN1ALDH1A1KMT2A
SCHEMBL7014333 0.84 HPGD (0.49) SMN1; SMN2HRH3TP53MEN1ALDH1A1
SCHEMBL7011506 0.84 MEN1 (0.55) SMN1; SMN2TP53MEN1ALDH1A1KMT2A
SCHEMBL7014757 0.84 MEN1 (0.44) SMN1; SMN2TP53MEN1ALDH1A1KMT2A
SCHEMBL7017962 0.84 LMNA (0.53) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7010368 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HRH3TP53KDM4EMEN1

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
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed