SCHEMBL6825720

SCHEMBL6825720

Fc1ccc(-c2oc3ccccc3c2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
PTGS2 P35354 3/20 0.51
PTGS1 P23219 1/20 0.51
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49

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
SCHEMBL6825859 0.85 KMT2A (0.53) GABRPGABRDTNKSPARP1GABRA1
SCHEMBL28356532 0.82 LMNA (0.58) TNKSPARP1TNKS2CHRM2CHRM4
SCHEMBL28212030 0.81 MAPK14 (0.55) MAPK14PTGS2PTGS1GABRPGABRD
SCHEMBL22960257 0.80 CHRM2 (0.53) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL29839901 0.79 PTGS2 (0.55) MAPK14PTGS2PTGS1GABRPGABRD
SCHEMBL28352973 0.79 MAPK14 (0.52) MAPK14PTGS2PTGS1GABRPGABRD
SCHEMBL25824780 0.76 ANO1 (0.43) TNKSCHRM2CHRM4CHRM5CHRM1
SCHEMBL28088149 0.75 TNKS (0.49) MAPK14PTGS2PTGS1TNKSMEN1
SCHEMBL18341912 0.75 AR (0.52) MAPK14PTGS2PTGS1MEN1CYP3A4
SCHEMBL12825536 0.73 ADORA3 (0.77) MAPK14PTGS2PTGS1GABRPGABRD

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-2004089939-A1 CONDENSED FURAN DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-21 WO disclosed