SCHEMBL29022154

SCHEMBL29022154

CC(C)CCCCCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.61
KDM1A O60341 10/20 0.58
SIGMAR1 Q99720 4/20 0.58
CHRM2 P08172 3/20 0.58
HTR1A P08908 3/20 0.58
ADRA2A P08913 3/20 0.58
CHRM1 P11229 3/20 0.58
DRD1 P21728 3/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 3/20 0.58
ADRA1A P35348 3/20 0.58
OPRM1 P35372 3/20 0.58
DRD3 P35462 3/20 0.58
KCNH2 Q12809 3/20 0.58
CYP2D6 P10635 3/20 0.58
SLC22A1 O15245 2/20 0.58
PRNP P04156 2/20 0.58
CYP1A2 P05177 2/20 0.58
CHRM4 P08173 2/20 0.58
CHRM5 P08912 2/20 0.58

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
SCHEMBL15423268 0.98 PIM1 (0.63) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL29022139 0.88 PIM1 (0.49) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL208025 0.86 PIM1 (0.79) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL765775 0.86 PTGS1 (0.64) PIM1KDM1ASIGMAR1CHRM2HTR1A
Ammonia Solution, Strong SCHEMBL22186864 0.85 KDM1A (0.57) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL21977447 0.82 LMNA (0.69) KDM1ASIGMAR1CHRM2HTR1AADRA2A
SCHEMBL7397164 0.81 PIM1 (0.67) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL342329 0.81 PIM1 (0.67) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL31302971 0.81 PIM1 (0.67) PIM1KDM1ASIGMAR1CHRM2HTR1A
SCHEMBL2784918 0.81 PIM1 (0.67) PIM1KDM1ASIGMAR1CHRM2HTR1A

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