SCHEMBL9827481

SCHEMBL9827481

COc1ccc(C(=O)c2cccc(Br)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 2/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CNR2 P34972 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 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
SCHEMBL19874839 0.89 KMT2A (0.58) KMT2ARAB9AMEN1MAPTRXFP1
SCHEMBL11876573 0.83 MAPT (0.50) KMT2ARAB9AMEN1MAPTRXFP1
SCHEMBL4083653 0.82 ALDH1A1 (0.50) RAB9AMAPTLMNAMAPK1HPGD
SCHEMBL1656800 0.81 HPGD (0.56) KMT2ARAB9AMEN1MAPTRXFP1
SCHEMBL9828649 0.80 KMT2A (0.53) KMT2ARAB9AMEN1MAPTKDM4E
SCHEMBL1873600 0.79 HSD17B14 (0.49) KMT2AMEN1RXFP1MAPK1GAA
SCHEMBL10796499 0.79 CNR2 (0.55) RXFP1MAPK1HPGDCES2CES1
SCHEMBL26988861 0.78 MAPT (0.51) KMT2ARAB9AMEN1MAPTRXFP1
SCHEMBL960010 0.77 ALDH1A1 (0.51) KMT2AMAPTLMNAGAAKDM4E
SCHEMBL20412776 0.76 RAB9A (0.54) KMT2ARAB9AMEN1MAPTLMNA

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
EP-0249950-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-19 EP disclosed
EP-0085959-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-19 EP disclosed
EP-0249950-A1 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-12-23 EP disclosed
EP-0085959-A2 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-17 EP disclosed