SCHEMBL19240079

SCHEMBL19240079

CCCN1CCC/C1=C\C=C1/C(=O)N(C)C(=O)N1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ PSMD14 O00487 2/20 0.49
▸ IDE P14735 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19240078 0.86 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240080 0.81 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240048 0.80 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240016 0.73 MAPT (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240009 0.70 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240012 0.70 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240083 0.67 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19240025 0.67 MEN1 (0.32) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2058995 0.66 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2058993 0.66 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1GAA

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
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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