SCHEMBL22033247

SCHEMBL22033247

Cc1cc(C)cc(NC(=O)c2cc(N3CCCS3(O)O)cc(Cl)c2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ P2RX1 P51575 1/20 0.40
▸ TMPRSS4 Q9NRS4 1/20 0.40
▸ TP53 P04637 4/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ F12 P00748 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MMP9 P14780 1/20 0.35

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
SCHEMBL22033214 0.95 TP53 (0.38) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033217 0.93 TP53 (0.39) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033322 0.90 L3MBTL1 (0.36) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033248 0.89 TP53 (0.51) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033918 0.89 MAPT (0.40) MAPTP2RX1TMPRSS4TP53RAB9A
SCHEMBL22032864 0.87 KMT2A (0.46) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033344 0.87 P2RX1 (0.40) MAPTP2RX1TP53RAB9ANPC1
SCHEMBL22032909 0.85 P2RX1 (0.46) MAPTP2RX1TMPRSS4KMT2AMEN1
SCHEMBL22033040 0.84 TP53 (0.41) MAPTL3MBTL1KDM4EHPGDP2RX1
SCHEMBL22033215 0.84 TP53 (0.48) MAPTL3MBTL1KDM4EHPGDP2RX1

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-2020117877-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2020-06-11 — — WO disclosed
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