SCHEMBL7592453

SCHEMBL7592453

O=C(O)c1[nH]c2cc(Br)c(O)cc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.43
GPR17 Q13304 3/20 0.41
RNASEH1 O60930 1/20 0.41
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL7072708 0.76 GPR17 (0.61) GPR17CYP2C9CYP2C19NPSR1GAA
SCHEMBL7842628 0.74 KDM4E (0.47) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL7074236 0.73 POLB (0.47) CNR1
SCHEMBL7680945 0.73 PTPRC (0.44) GPR17RNASEH1
SCHEMBL7682574 0.73 KDM4A (0.43) GPR17RNASEH1
SCHEMBL27566482 0.73 GPR35 (0.39) GPR35GPR17
Ethyne SCHEMBL7605585 0.72 GPR17 (0.45) GPR17RNASEH1
SCHEMBL7074182 0.72 EGFR (0.50) NPSR1CNR1
SCHEMBL7076761 0.71 MCL1 (0.48) GPR17RNASEH1GAA
SCHEMBL8095087 0.68 RNASEH1 (0.42) GPR17RNASEH1NPSR1

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
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed