SCHEMBL9429265

SCHEMBL9429265

CC(C(=O)Nc1ccc(Cl)cc1)N1CCCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
IDO1 P14902 4/20 0.43
TDO2 P48775 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
ADRB2 P07550 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL9429270 0.79 TP53 (0.60) ALDH1A1MEN1KMT2A
SCHEMBL9429935 0.77 MAPT (0.57) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9428850 0.69 MEN1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22777908 0.68 MAPT (0.73) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9205131 0.68 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ANPSR1KDM4E
Hydrochloric Acid SCHEMBL9428878 0.68 MEN1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9429593 0.68 SOD1 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL9870796 0.66 LMNA (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9310533 0.66 RECQL (0.62) KMT2ASMN1; SMN2KDM4ERECQL
Hydrochloric Acid SCHEMBL9428320 0.66 MEN1 (0.51) ALDH1A1MEN1KMT2A

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 1 patent. 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