SCHEMBL8780768

SCHEMBL8780768

CC(=O)c1cc(F)ccc1OCCN(C)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRPF1 P55201 1/20 0.37
KMT2A Q03164 3/20 0.36
LTA4H P09960 2/20 0.35
SLC6A9 P48067 1/20 0.34
BRD4 O60885 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL8780841 0.89 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2BRPF1KMT2A
SCHEMBL8780875 0.85 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2BRPF1KMT2A
SCHEMBL8780781 0.82 LTA4H (0.46) ALDH1A1SMN1; SMN2KMT2ALTA4HKDM4E
SCHEMBL8780868 0.80 MAOB (0.41) ALDH1A1KDM4ELMNA
SCHEMBL8781045 0.80 MAOB (0.49) ALDH1A1LTA4HKDM4E
SCHEMBL8780758 0.78 LMNA (0.56) ALDH1A1HTTSMN1; SMN2BRPF1KDM4E
SCHEMBL8780796 0.77 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL8780811 0.76 MAOB (0.41) ALDH1A1SMN1; SMN2BRD4KDM4ELMNA
SCHEMBL8780990 0.74 KCNH2 (0.39) SMN1; SMN2LTA4H
SCHEMBL8780993 0.74 THRA (0.40) ALDH1A1KMT2AKDM4ELMNA

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-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed