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SCHEMBL21728260

SCHEMBL21728260

CCC(CC)(c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NR1H3 Q13133 1/20 0.30

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
SCHEMBL21728354 0.96 L3MBTL1 (0.33) L3MBTL1TP53SMN1; SMN2ESR1ESR2
SCHEMBL21728455 0.93 MEN1 (0.39) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL21728164 0.92 — —
SCHEMBL21728269 0.92 MEN1 (0.40) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL21728150 0.88 — —
SCHEMBL21728399 0.86 ESR1 (0.31) L3MBTL1ESR1ESR2
SCHEMBL20403520 0.85 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL21728317 0.84 L3MBTL1 (0.35) L3MBTL1TP53SMN1; SMN2ESR1ESR2
SCHEMBL21728426 0.84 L3MBTL1 (0.35) L3MBTL1TP53SMN1; SMN2ESR1ESR2
SCHEMBL19313850 0.83 L3MBTL1 (0.33) L3MBTL1TP53SMN1; SMN2DPP4

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-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 — — EP disclosed