SCHEMBL19208752

SCHEMBL19208752

CC(C)C(NC(=O)O)C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 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
SCHEMBL29781738 0.82 HPGD (0.53) POLBHPGDALOX15ALDH1A1MEN1
SCHEMBL20971614 0.82 HPGD (0.53) POLBHPGDALOX15ALDH1A1MEN1
SCHEMBL19236692 0.82 HPGD (0.53) POLBHPGDALOX15ALDH1A1MEN1
SCHEMBL25371727 0.81 ALDH1A1 (0.69) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL25371726 0.81 ALDH1A1 (0.69) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL11311282 0.80 MEN1 (0.65) HPGDALOX15ALDH1A1MEN1KMT2A
SCHEMBL20971627 0.78 HPGD (0.57) HPGDALOX15ALDH1A1MEN1KMT2A
SCHEMBL19208177 0.78 HPGD (0.57) HPGDALOX15ALDH1A1MEN1KMT2A
SCHEMBL29781778 0.78 HPGD (0.57) HPGDALOX15ALDH1A1MEN1KMT2A
SCHEMBL19905657 0.77 MEN1 (0.61) HPGDALOX15ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411411-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF Biocryst Pharmaceuticals, Inc. (US) 2018-12-12 — — EP disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 — — WO disclosed
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