SCHEMBL29022142

SCHEMBL29022142

CCC(CCC(C)C)N1c2ccccc2Sc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.38
SLC6A3 Q01959 2/20 0.38
MAPT P10636 3/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 2/20 0.37
CYP2D6 P10635 5/20 0.36
ADRA2A P08913 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
DRD3 P35462 4/20 0.36
CHRM2 P08172 3/20 0.36
HTR1A P08908 3/20 0.36
CHRM1 P11229 3/20 0.36
DRD1 P21728 3/20 0.36
ADRA1A P35348 3/20 0.36
OPRM1 P35372 3/20 0.36
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36

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
SCHEMBL29831126 1.00 BCHE (0.38) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL29831038 0.94 DRD2 (0.36) NOX1DRD2HTR2AHTR6
SCHEMBL29022155 0.88 PTGS1 (0.45) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL29830704 0.88 PTGS1 (0.45) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL29022139 0.75 PIM1 (0.49) SLC6A3MAPTPTGS1PTGS2CYP2D6
SCHEMBL9100285 0.74 BCHE (0.42) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL627961 0.74 KDM1A (0.48) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL13412821 0.73 CYP2D6 (0.41) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL29279665 0.71 PTGS1 (0.44) BCHESLC6A3MAPTPTGS1PTGS2
SCHEMBL30792515 0.71 PTGS1 (0.44) BCHESLC6A3MAPTPTGS1PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480705-B Double phenothiazinyl zinc porphyrin dye and preparation method thereof 桂林理工大学 2022-09-27 CN claimed
CN-112608617-B Triphenothiazinyl zinc porphyrin dye and preparation method thereof 桂林理工大学 2022-09-23 CN claimed
CN-112480705-B Double phenothiazinyl zinc porphyrin dye and preparation method thereof 桂林理工大学 2022-09-27 CN disclosed
CN-112608617-B Triphenothiazinyl zinc porphyrin dye and preparation method thereof 桂林理工大学 2022-09-23 CN disclosed