SCHEMBL18320549

SCHEMBL18320549

O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.76
PTGES O14684 1/20 0.74
ALDH1A1 P00352 1/20 0.74
ALOX5 P09917 1/20 0.74
CYP2C9 P11712 1/20 0.74
HPGD P15428 1/20 0.74
CASP7 P55210 1/20 0.74
HIF1A Q16665 1/20 0.74
HSD17B10 Q99714 1/20 0.74
EPRS1 P07814 3/20 0.67
KDM4E B2RXH2 2/20 0.67
RXFP1 Q9HBX9 2/20 0.62
MEN1 O00255 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
MC4R P32245 1/20 0.62
PPARG P37231 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NCOR2 Q9Y618 1/20 0.62

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
SCHEMBL117422 0.92 PTGES (0.84) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL117430 0.91 EPRS1 (0.79) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL5529524 0.88 HSD17B10 (0.94) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL5530291 0.87 EPRS1 (0.85) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL12237494 0.87 RXFP1 (0.75) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL1899098 0.87 RXFP1 (0.79) DHODHALDH1A1HPGDHIF1AHSD17B10
SCHEMBL5838639 0.86 DHODH (0.74) DHODHALDH1A1HPGDHSD17B10EPRS1
SCHEMBL14286200 0.85 HSD17B10 (1.00) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL31590457 0.85 PTGES (0.68) DHODHPTGESALDH1A1ALOX5CYP2C9
SCHEMBL7814193 0.84 GAA (0.71) DHODHALDH1A1CYP2C9HPGDHSD17B10

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
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed