SCHEMBL9428850

SCHEMBL9428850

Cn1c(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HRH1 P35367 7/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KDR P35968 1/20 0.46
SOD1 P00441 1/20 0.44
GAA P10253 2/20 0.43
NSD2 O96028 1/20 0.43

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
Hydrochloric Acid SCHEMBL9428878 0.99 MEN1 (0.53) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL9429593 0.89 SOD1 (0.57) MEN1KMT2AALDH1A1MAPTHRH1
SCHEMBL9384076 0.84 POLB (0.57) MEN1KMT2APOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9384967 0.83 POLB (0.56) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL9429935 0.82 MAPT (0.57) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9428710 0.80 HRH1 (0.48) HRH1GAA
Hydrochloric Acid SCHEMBL9428097 0.79 HRH1 (0.47) MEN1KMT2ASMN1; SMN2HRH1LMNA
SCHEMBL9428246 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1HRH1
SCHEMBL15340905 0.78 KMT2A (0.64) MEN1KMT2APOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9428320 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HRH1

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-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed