SCHEMBL2322798

SCHEMBL2322798

CC(=O)Nc1ccc(Br)c(C)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1601224 0.86 RXFP1 (0.58) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL11932852 0.81 RXFP1 (0.53) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL2429572 0.78 RXFP1 (0.53) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL1693205 0.78 RXFP1 (0.53) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL31347764 0.78 RXFP1 (0.53) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL5735731 0.78 ALDH1A1 (0.43) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL9224065 0.78 RXFP1 (0.49) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL2624005 0.78 MAPT (0.50) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL10896232 0.77 ALDH1A1 (0.50) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL265392 0.77 ALDH1A1 (0.55) RXFP1CA1CA2CA9ALDH1A1

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-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO disclosed