SCHEMBL29947117

SCHEMBL29947117

CCOP(=O)(CCN1c2ccc(Br)cc2Sc2cc(Br)ccc21)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
PIM1 P11309 1/20 0.36
NOX1 Q9Y5S8 1/20 0.34
PRMT1 Q99873 2/20 0.34
PPARD Q03181 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
FPR2 P25090 1/20 0.32
PTGS2 P35354 1/20 0.31
KDM1A O60341 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL27236432 1.00 DRD2 (0.46) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL27236433 0.81 KDM1A (0.49) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL27236435 0.79 DRD2 (0.48) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL29947281 0.79 DRD2 (0.48) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL32685458 0.78 HTR1D (0.34) HTR7
SCHEMBL12073897 0.77 DRD2 (0.53) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL19897162 0.76 DRD2 (0.53) DRD2HTR2AHTR7HTR6PIM1
SCHEMBL31744487 0.74 DRD2 (0.43) DRD2HTR2AHTR7HTR6
SCHEMBL31744501 0.73 PSEN1 (0.33)
SCHEMBL15237156 0.73 DRD2 (0.49) DRD2HTR2AHTR7HTR6PIM1

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
WO-2022186439-A1 CONDUCTIVE SUBSTRATE, PEROVSKITE SUBSTRATE USING SAME, AND SOLAR CELL USING SAME 한국에너지기술연구원 2022-09-09 WO claimed
WO-2022186439-A1 CONDUCTIVE SUBSTRATE, PEROVSKITE SUBSTRATE USING SAME, AND SOLAR CELL USING SAME 한국에너지기술연구원 2022-09-09 WO disclosed