SCHEMBL20565743

SCHEMBL20565743

COc1ccc(NC(=O)Oc2ccccc2)nc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 7/20 0.48
GAA P10253 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
THRB P10828 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL20565795 0.84 POLB (0.59) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL20565791 0.81 POLB (0.49) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL17372587 0.81 POLB (0.49) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL7225728 0.76 MAPT (0.50) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL59779 0.76 ALDH1A1 (0.51) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL59299 0.76 KMT2A (0.50) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL31052622 0.74 PARP2 (0.48) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL896513 0.74 ALDH1A1 (0.53) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL897079 0.74 ALDH1A1 (0.49) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL7916858 0.73 CYP1A2 (0.52) POLBMAPTKMT2AMEN1NPC1

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-3157922-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2018-11-28 EP disclosed