SCHEMBL23997403

SCHEMBL23997403

CNc1ccc(C)cc1N(C=O)Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KCNQ4 P56696 3/20 0.37
▸ KCNQ5 Q9NR82 3/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ SDCBP O00560 1/20 0.37
▸ SDC2 P34741 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL5796279 0.74 L3MBTL1 (0.56) HDAC1L3MBTL1NAMPTGAACA1
SCHEMBL23997378 0.73 LMNA (0.38) HDAC1LMNA
SCHEMBL17040910 0.73 L3MBTL1 (0.44) HDAC1L3MBTL1NAMPTGAACA1
SCHEMBL3180689 0.71 L3MBTL1 (0.61) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL23775214 0.71 LSS (0.52) HDAC1L3MBTL1NAMPTSDCBPSDC2
Acetic Acid SCHEMBL8138998 0.71 SMN1; SMN2 (0.53) HDAC1L3MBTL1NAMPTGAACA1
SCHEMBL23997165 0.70 KMT2A (0.41) HDAC1
SCHEMBL23885017 0.70 L3MBTL1 (0.51) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL28177091 0.69 L3MBTL1 (0.46) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL732456 0.69 NAMPT (0.57) HDAC1L3MBTL1NAMPTSDCBPSDC2

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-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — WO disclosed
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