SCHEMBL26931908

SCHEMBL26931908

C#Cc1ccc(CNC(=O)OC(C)(C)C)c(COC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
PTPN11 Q06124 1/20 0.39
GAA P10253 2/20 0.37
NQO2 P16083 1/20 0.37
KCNA5 P22460 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRA3 P34903 1/20 0.35
GABRA4 P48169 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 2/20 0.35
CACNA1H O95180 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
SCHEMBL24837810 0.84 TRPV1 (0.42) KDM4APTPN11GAAKCNA5L3MBTL1
SCHEMBL30683092 0.84 GABRA1 (0.40) KDM4APTPN11GAANQO2KCNA5
SCHEMBL30178972 0.84 KDM4A (0.41) KDM4APTPN11NQO2KCNA5GABRA1
SCHEMBL24838769 0.84 KDM4A (0.41) KDM4APTPN11NQO2KCNA5L3MBTL1
SCHEMBL24837857 0.84 KDM4A (0.41) KDM4APTPN11NQO2KCNA5GABRA1
SCHEMBL24838314 0.82 IDO1 (0.46) KDM4APTPN11GAAKCNA5HSD17B10
SCHEMBL15729523 0.82 EPHX2 (0.41) KDM4APTPN11KCNA5GABRA1GABRG2
SCHEMBL26931949 0.81 AAK1 (0.42) KDM4AGAANQO2KCNA5ALDH1A1
SCHEMBL30178894 0.81 CA12 (0.37) KDM4APTPN11KCNA5L3MBTL1GABRA1
SCHEMBL24837853 0.81 CA12 (0.37) KDM4APTPN11KCNA5L3MBTL1GABRA1

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
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed