SCHEMBL30185448

SCHEMBL30185448

O=C1c2ccccc2Cc2cccc([BaH])c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
CES1 P23141 2/20 0.52
BCHE P06276 1/20 0.52
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HPN P05981 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
KDR P35968 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL769934 0.84 MAOA (0.71) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL1204733 0.78 MAPT (0.75) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL3271360 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL17796874 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL29364462 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL4652610 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL30177232 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL10782961 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL6902816 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL28096155 0.78 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108472366-B Compositions and methods for immune-mediated cancer therapy 泰克利森有限公司 2023-03-17 CN disclosed