SCHEMBL9429073

SCHEMBL9429073

CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
MAPT P10636 5/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.45
DRD4 P21917 1/20 0.43
HPGD P15428 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
SCHEMBL9429935 0.81 MAPT (0.57) MAPTTSHRLMNAKMT2AMEN1
SCHEMBL9384406 0.78 LMNA (0.61) MAPTLMNAKMT2AMEN1CYP1A2
SCHEMBL9428746 0.76 HRH1 (0.44) MAPTTSHRLMNAKMT2AMEN1
Oxalic Acid SCHEMBL9384506 0.75 LMNA (0.57) MAPTLMNAKMT2AMEN1CYP1A2
SCHEMBL9428792 0.75 ALOX15 (0.51) ALOX15TSHRLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL9428577 0.74 ALOX15 (0.50) ALOX15MAPTTSHRLMNAKMT2A
SCHEMBL9428233 0.73 CACNA1G (0.57) LMNAALDH1A1HPGD
SCHEMBL9429871 0.71 HRH1 (0.48) ALOX15MAPTTSHRLMNAKMT2A
SCHEMBL9429270 0.71 TP53 (0.60) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL9428857 0.69 HRH1 (0.48) KMT2AMEN1ALDH1A1

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