SCHEMBL21560671

SCHEMBL21560671

CCC(=O)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PDK2 Q15119 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL21551956 0.82 MAPT (0.39) SMN1; SMN2MAPTL3MBTL1KMT2AHPGD
SCHEMBL21551833 0.81 MAPT (0.38) SMN1; SMN2MAPTL3MBTL1KMT2AHPGD
SCHEMBL1307887 0.80 PDK2 (0.47) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL29540116 0.80 PDK2 (0.47) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL21552097 0.79 RARB (0.38) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL24499149 0.79 PDK2 (0.46) PDK2OPRM1OPRD1
SCHEMBL27584898 0.78 MAPT (0.37) SMN1; SMN2MAPTL3MBTL1KMT2AHPGD
Diethylamine SCHEMBL990943 0.77 PDK2 (0.39) SMN1; SMN2MAPTKMT2AMEN1PDK2
SCHEMBL18012808 0.76 MAPT (0.38) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL13668291 0.76 MAPT (0.42) MAPTL3MBTL1KMT2AMEN1NPC1

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-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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