SCHEMBL11467331

SCHEMBL11467331

CCOC(=O)C=C(Br)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAPT P10636 5/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NAMPT P43490 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
HIF1A Q16665 4/20 0.44
CASP3 P42574 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
SCHEMBL9487727 0.82 MAPT (0.50) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL11467332 0.80 MAPT (0.50) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5068509 0.80 CA1 (0.75) CA1CA2MAPTHDAC3HDAC1
SCHEMBL11297551 0.80 MAPT (0.41) CA1CA2MAPTMEN1KMT2A
SCHEMBL11297553 0.80 MAPT (0.41) CA1CA2MAPTMEN1KMT2A
SCHEMBL11461243 0.77 MAPT (0.59) CA1CA2MAPTHDAC1MEN1
SCHEMBL11461242 0.77 MAPT (0.59) CA1CA2MAPTHDAC1MEN1
SCHEMBL11159031 0.76 PTGER4 (0.42) MAPTHDAC3HDAC1HDAC2MEN1
SCHEMBL27996234 0.74 SMN1; SMN2 (0.73) CA1CA2MAPTMEN1KMT2A
SCHEMBL11460287 0.74 MAPT (0.55) CA1CA2MAPTHDAC1NPC1

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-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed