SCHEMBL16616420

SCHEMBL16616420

O=Cc1ccc2c(c1)Sc1ccccc1N2CCCCCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
KDM1A O60341 10/20 0.48
SIGMAR1 Q99720 2/20 0.44
PRNP P04156 2/20 0.44
CYP1A2 P05177 2/20 0.44
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD2 P14416 2/20 0.44
TSHR P16473 2/20 0.44
DRD1 P21728 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC22A1 O15245 1/20 0.44

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
SCHEMBL5115700 0.94 PIM1 (0.55) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL5112085 0.94 PIM1 (0.55) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL31174404 0.88 PDF (0.53) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL19746326 0.85 PIM1 (0.48) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL8715162 0.85 KDM1A (0.54) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL16616978 0.84 PIM1 (0.67) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL11402576 0.84 PIM1 (0.67) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL30950675 0.84 PIM1 (0.67) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL30950671 0.82 PIM1 (0.69) PIM1KDM1ASIGMAR1PRNPCYP1A2
SCHEMBL30950674 0.82 PIM1 (0.69) PIM1KDM1ASIGMAR1PRNPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9251964-B2 Porphyrin-based compound, dye and dye-sensitized solar cell comprising the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-02 US disclosed
US-9251964-B2 Porphyrin-based compound, dye and dye-sensitized solar cell comprising the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-02 US disclosed
US-9251964-B2 Porphyrin-based compound, dye and dye-sensitized solar cell comprising the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-02 US disclosed
US-20150096618-A1 PORPHYRIN-BASED COMPOUND, DYE AND DYE-SENSITIZED SOLAR CELL COMPRISING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-09 US disclosed
US-20150096618-A1 PORPHYRIN-BASED COMPOUND, DYE AND DYE-SENSITIZED SOLAR CELL COMPRISING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-09 US disclosed
US-20150096618-A1 PORPHYRIN-BASED COMPOUND, DYE AND DYE-SENSITIZED SOLAR CELL COMPRISING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-09 US disclosed