SCHEMBL5217649

SCHEMBL5217649

O=CCC(C(=O)O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 1/20 0.44
HTR2A P28223 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
SRC P12931 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL6835417 0.85 MEN1 (0.51) GUSBMTNR1AMTNR1BGPR84MEN1
SCHEMBL13846906 0.85 NR4A2 (0.46) GUSBMTNR1AMTNR1BGPR84MEN1
SCHEMBL1612837 0.83 GUSB (0.44) GUSBMTNR1AMTNR1BGPR84MEN1
SCHEMBL13931374 0.83 GPR84 (0.54) GUSBMTNR1AMTNR1BGPR84MAPT
SCHEMBL22478760 0.82 MAPT (0.64) GPR84MEN1MAPTPKMKMT2A
SCHEMBL27836177 0.77 GUSB (0.49) GUSBMTNR1AMTNR1BGPR84MEN1
SCHEMBL11893400 0.77 NR4A2 (0.51) GUSBMTNR1AMTNR1BGPR84NR4A2
SCHEMBL9235264 0.76 GABRA1 (0.47) GUSBMTNR1AMTNR1BGPR84MEN1
SCHEMBL18962253 0.74 MEN1 (0.46) GUSBMEN1MAPTPKMKMT2A
SCHEMBL8592583 0.72 GUSB (0.63) GUSBGPR84MEN1MAPTKMT2A

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-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed