SCHEMBL28305496

SCHEMBL28305496

NCc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.51
▸ MAPT P10636 7/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ PKM P14618 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ APP P05067 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44

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
SCHEMBL22625286 0.84 LCK (0.66) LCKMAPTKMT2APKMUSP2
SCHEMBL30381384 0.82 MAPT (0.63) LCKMAPTKMT2APKMUSP2
SCHEMBL677432 0.78 MAPT (0.62) LCKMAPTKMT2APKMUSP2
SCHEMBL4165022 0.76 NR3C1 (0.45) MAPTKMT2APKMALDH1A1MEN1
SCHEMBL30381697 0.76 LCK (0.56) LCKMAPTKMT2APKMUSP2
SCHEMBL7147011 0.76 PARP1 (0.62) LCKMAPTKMT2APKMUSP2
SCHEMBL20299501 0.76 LCK (0.56) LCKMAPTKMT2APKMUSP2
SCHEMBL3372898 0.76 LCK (0.56) LCKMAPTKMT2APKMUSP2
SCHEMBL22625287 0.76 CSNK2A2 (0.59) LCKMAPTKMT2APKMUSP2
SCHEMBL30381597 0.76 PARP1 (0.62) LCKMAPTKMT2APKMUSP2

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
CN-110028407-A A kind of method preparing -1 ', 3 '-dione compounds of spiral shell [cyclopropane -1,2 '-indenes] 苏州大学 2019-07-19 — — CN disclosed
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