SCHEMBL28036190

SCHEMBL28036190

CCOC(=O)c1cnc(S(=O)(=O)O)c(Cl)c1Nc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ TP53 P04637 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AURKB Q96GD4 4/20 0.47
▸ AURKA O14965 2/20 0.47
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MC4R P32245 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDE4B Q07343 1/20 0.45

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
SCHEMBL17135168 0.87 AURKB (0.55) MAPTSMN1; SMN2TP53ALDH1A1AURKB
SCHEMBL17134819 0.79 TP53 (0.51) MAPTSMN1; SMN2TP53GAATHRB
SCHEMBL17135080 0.79 AURKB (0.62) MAPTSMN1; SMN2TP53ALDH1A1AURKB
SCHEMBL17135291 0.75 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1MAPK1AURKB
SCHEMBL17135156 0.74 EGFR (0.50) MAPTSMN1; SMN2HTTALDH1A1AURKB
SCHEMBL4713013 0.73 SYK (0.67) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL17134535 0.72 AURKB (0.55) MAPTSMN1; SMN2TP53ALDH1A1AURKB
SCHEMBL17134589 0.71 TP53 (0.51) MAPTTP53GAAAURKBAURKA
SCHEMBL23493854 0.70 MAPT (0.77) MAPTPOLBSMN1; SMN2TP53GAA
SCHEMBL17134742 0.70 AURKB (0.56) MAPTSMN1; SMN2TP53ALDH1A1AURKB

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
CN-104995173-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO LTD 2015-10-21 — — CN disclosed
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