SCHEMBL20206220

SCHEMBL20206220

Nc1cccc(NC(=O)c2cccc(Br)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.54
POLB P06746 1/20 0.53
GRM5 P41594 2/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
PTGS1 P23219 3/20 0.49
ACKR3 P25106 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HPGD P15428 1/20 0.47
KDR P35968 1/20 0.45
GRM4 Q14833 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL20189462 0.85 POLB (0.56) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL16430837 0.84 DDX3X (0.56) DDX3XPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL23860735 0.81 GRM4 (0.48) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL30279685 0.81 GRM4 (0.48) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL3087891 0.79 GRM4 (0.70) DDX3XSMN1; SMN2KDRGRM4HDAC6
SCHEMBL20189793 0.77 POLB (0.62) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL12468912 0.77 POLB (0.57) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL24021474 0.77 MAPT (0.56) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL26872446 0.77 CYP11B2 (0.58) POLBGRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL16441860 0.76 DDX3X (0.50) DDX3XPOLBALDH1A1SMN1; SMN2MAPT

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-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed