SCHEMBL25315958

SCHEMBL25315958

CC(C)(C)C(=O)Nc1nc(Cl)ccc1C(C)(O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KLF5 Q13887 1/20 0.33

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
SCHEMBL31038666 0.86 KMT2A (0.33) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL5366517 0.86 KMT2A (0.33) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL1577617 0.77 L3MBTL1 (0.42) L3MBTL1ADORA1POLBSMN1; SMN2NPC1
SCHEMBL1661669 0.76 KMT2A (0.47) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL267725 0.75 L3MBTL1 (0.44) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL3326127 0.74 L3MBTL1 (0.43) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL1047479 0.74 L3MBTL1 (0.43) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL19691913 0.74 CTSA (0.39) L3MBTL1MAPTMEN1KMT2AADORA1
SCHEMBL5366980 0.73 KMT2A (0.40) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL5374156 0.73 L3MBTL1 (0.42) L3MBTL1MAPTMEN1KMT2AADORA1

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-2023127814-A1 SUBSTITUTED QUINOLINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2023-07-06 — — WO disclosed
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