SCHEMBL7532149

SCHEMBL7532149

COCC(=O)Nc1c(Br)c(C(=O)Cl)c(Br)c(C(=O)Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7528241 0.84 PKM (0.43) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7523168 0.81 HPGD (0.47) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL1020767 0.80 LMNA (0.46) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL7526266 0.78 PKM (0.39) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7523902 0.77 HPGD (0.33) HPGD
SCHEMBL29557173 0.75 LMNA (0.43) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL28774875 0.75 LMNA (0.43) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL7528615 0.75 MEN1 (0.32) ALDH1A1KMT2A
SCHEMBL11874229 0.73 LMNA (0.47) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL10878856 0.72 HPGD (0.47) HPGDALDH1A1TSHRSMN1; SMN2LMNA

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
EP-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed