SCHEMBL28473333

SCHEMBL28473333

O=C(C(=O)c1cccc(Br)c1)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.67
CES1 P23141 5/20 0.67
PARP1 P09874 1/20 0.59
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.49
C1S P09871 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
PLEC Q15149 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4187858 0.91 CES2 (0.73) CES2CES1PARP1TP53MEN1
SCHEMBL6670439 0.91 PARP1 (0.68) CES2CES1PARP1CYP1A2TP53
SCHEMBL4229652 0.89 CES2 (0.61) CES2CES1PARP1TP53ALDH1A1
SCHEMBL4524448 0.88 CES2 (0.61) CES2CES1PARP1CYP1A2TP53
SCHEMBL9125529 0.86 CES2 (0.59) CES2CES1PARP1CYP1A2CYP3A4
SCHEMBL3838117 0.83 PARP1 (0.59) PARP1CYP1A2CYP3A4CYP2C19TP53
SCHEMBL13170586 0.82 CES2 (0.59) CES2CES1TP53ALDH1A1MEN1
SCHEMBL2657896 0.82 MAPT (0.57) CES2CES1PARP1CYP1A2CYP3A4
SCHEMBL649996 0.82 CES2 (0.80) CES2CES1TP53HPGDMEN1
SCHEMBL4110200 0.82 PARP1 (0.49) CES2CES1PARP1CYP1A2CYP3A4

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
CN-110343100-B Phenothiazine co-sensitizer and preparation method and application thereof 江苏理工学院 2020-10-30 CN claimed
CN-110343100-B Phenothiazine co-sensitizer and preparation method and application thereof 江苏理工学院 2020-10-30 CN disclosed