SCHEMBL30580716

SCHEMBL30580716

COC(=O)c1cc(Br)ccc1-c1ccc(-c2ccc(Br)cc2C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SLC6A3 Q01959 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39

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
SCHEMBL20043732 1.00 NR4A2 (0.47) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL18195802 0.93 ALDH1A1 (0.48) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL16683424 0.88 SLC6A3 (0.47) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL2482051 0.86 NR4A2 (0.54) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL19603559 0.82 MAPT (0.55) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL12737920 0.81 SLC6A3 (0.66) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL1577095 0.80 SLC6A3 (0.69) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2
SCHEMBL1612119 0.79 DAO (0.43) ALDH1A1GAASLC6A3SMN1; SMN2HSD17B10
SCHEMBL3168568 0.77 SLC6A3 (0.65) NR4A2ALDH1A1GAASLC6A3L3MBTL1
SCHEMBL4577829 0.77 NR4A2 (0.56) NR4A2ALDH1A1GAASLC6A3SMN1; SMN2

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
EP-3481834-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-10-18 — — EP disclosed
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