SCHEMBL4954892

SCHEMBL4954892

CC(C)/C(C#N)=C\c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 9/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ BLM P54132 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ THRB P10828 1/20 0.37
▸ CISD1 Q9NZ45 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL4954901 1.00 KMT2A (0.44) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL4954897 1.00 KMT2A (0.44) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL23057904 0.83 KMT2A (0.43) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL9591757 0.74 MAPT (0.77) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL9967743 0.74 ALDH1A1 (0.55) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL10925626 0.70 MAPT (0.44) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL21457142 0.69 ALDH1A1 (0.60) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL21457141 0.69 ALDH1A1 (0.60) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL13485338 0.69 ESR1 (0.69) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL9610045 0.69 ESR1 (0.69) KMT2ALMNAMAPTMEN1KDM4E

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-2008026075-A2 TREATMENT OF INTRACELLULAR BACTERIAL INFECTIONS WITH A PROTEIN KINASE INHIBITOR OR AN AS160 POLYPEPTIDE ACTIVATOR VERENIGING HET NEDERLANDS KANKER INSTITUUT (NL) 2008-03-06 — — WO disclosed
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