SCHEMBL11278342

SCHEMBL11278342

CCOc1cccc(OCC)c1N1C(=O)/C(=C/N(C)C)N(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ MEN1 O00255 7/20 0.37
▸ MAPT P10636 6/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ PKM P14618 1/20 0.35
▸ DAO P14920 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GRK6 P43250 2/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33

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
SCHEMBL11278349 1.00 KMT2A (0.38) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11270617 0.89 MAPT (0.36) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11270613 0.89 MAPT (0.36) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11282400 0.85 MAP1LC3B (0.36) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL11282397 0.85 MAP1LC3B (0.36) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL11280438 0.77 KMT2A (0.42) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11280436 0.77 KMT2A (0.42) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11280891 0.77 CYBB (0.39) KDM4EALDH1A1
SCHEMBL11277684 0.72 ALDH1A1 (0.49) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL11277679 0.72 ALDH1A1 (0.49) KMT2ATDP1MEN1MAPTKDM4E

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
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
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