SCHEMBL10724090

SCHEMBL10724090

COc1ccc(CSc2nc(C)c(C(=O)O)c(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ GAA P10253 3/20 0.49
▸ HPGD P15428 4/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MIF P14174 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL10914337 0.90 MAPT (0.53) MAPTHPGDPOLBALDH1A1KMT2A
SCHEMBL10913886 0.84 KDM4E (0.50) MAPTGAAHPGDPOLBALDH1A1
SCHEMBL10915430 0.81 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10914093 0.79 ALDH1A1 (0.46) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL6221292 0.77 POLB (0.54) MAPTGAAHPGDPOLBALDH1A1
SCHEMBL10377541 0.74 NPC1 (0.50) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL10377358 0.74 NPC1 (0.50) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL6960006 0.71 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6960011 0.71 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8558794 0.71 MAPT (0.48) MAPTGAAHPGDPOLBALDH1A1

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-0236902-A1 1,2,3,4-tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-substituted-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 — — EP disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 — — EP disclosed
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