SCHEMBL29138555

SCHEMBL29138555

Brc1cc2sc3cc(Br)c4ccccc4c3c2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRNP P04156 1/20 0.36
HTT P42858 1/20 0.36
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HKDC1 Q2TB90 1/20 0.33
CASP6 P55212 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL29636513 0.90 GPR3 (0.50) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL16231227 0.90 GPR3 (0.50) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL17742496 0.89 GPR3 (0.35) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL22941516 0.89 ALDH1A1 (0.42) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL31132113 0.89 GPR3 (0.35) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL19080435 0.87 NQO2 (0.40) GPR3MAOAMAOBALDH1A1HPGD
SCHEMBL17875622 0.87 PTPN1 (0.43) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL19544030 0.83 GPR3 (0.34) GPR3MAOAMAOBALDH1A1MAPT
SCHEMBL17742494 0.82 KDM4E (0.34) GPR3ALDH1A1KDM4EL3MBTL1
SCHEMBL23981126 0.80 KDM4E (0.41) GPR3ALDH1A1MAPTHPGDSMN1; SMN2

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-117069920-A Conjugated polymer material with backbone containing spiroalkene and application of conjugated polymer material in photoelectric device 浙江大学 2023-11-17 CN claimed
CN-117069920-A Conjugated polymer material with backbone containing spiroalkene and application of conjugated polymer material in photoelectric device 浙江大学 2023-11-17 CN disclosed