SCHEMBL9429935

SCHEMBL9429935

Cn1c(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
FPR2 P25090 1/20 0.57
TSHR P16473 4/20 0.55
ALDH1A1 P00352 4/20 0.55
KCNA5 P22460 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ATM Q13315 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
TP53 P04637 2/20 0.50

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 0.86 TP53 (0.60) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9384406 0.85 LMNA (0.61) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL9428850 0.82 MEN1 (0.54) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
Oxalic Acid SCHEMBL9384506 0.82 LMNA (0.57) MAPTLMNAHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9428878 0.81 MEN1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9429073 0.81 ALOX15 (0.50) MAPTLMNAHTTTSHRALDH1A1
SCHEMBL9428792 0.80 ALOX15 (0.51) LMNATSHRALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9428577 0.79 ALOX15 (0.50) MAPTLMNATSHRALDH1A1KMT2A
SCHEMBL9429593 0.77 SOD1 (0.57) MAPTLMNAHTTTSHRALDH1A1
SCHEMBL9429265 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1

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