SCHEMBL8366173

SCHEMBL8366173

CC(=O)c1[nH]c2cc(Br)c(Br)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.41
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAP2 P11137 1/20 0.34
SRC P12931 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL8371524 0.79 RXFP1 (0.54) MAPTMAP2PRNPCYP1A2CYP2C9
SCHEMBL14486519 0.67 CA12 (0.44) MAPTPRKACAPRNPCYP1A2CYP2C9
SCHEMBL28557466 0.66 SRC (0.46) GPR35MAPTSRCPRKACAPRKACG
SCHEMBL1252252 0.63 GPR35 (0.49) GPR35MAPTPKMPRNPCYP1A2
SCHEMBL10411387 0.63 LDHA (0.39) GPR35PKMEIF4A3MEN1KMT2A
SCHEMBL27372701 0.63 RXFP1 (0.63) GPR35MAPTPRNPCYP1A2CYP2C9
SCHEMBL21465541 0.62 MAPT (0.57) MAPTPKMPRNPCYP1A2CYP2C9
SCHEMBL1122596 0.62 ALDH1A1 (0.68) MAPTCYP1A2NPSR1LMNAMEN1
SCHEMBL31025896 0.61 GPR35 (0.46) GPR35PKMPRNPCYP1A2CYP2C9
SCHEMBL6179303 0.59 KDM4E (0.49) GPR35EIF4A3GPR17MEN1KMT2A

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-1999050438-A2 CHROMOGENIC INDOLE DERIVATIVES INALCO S.P.A. (IT) 1999-10-07 WO disclosed