SCHEMBL4787071

SCHEMBL4787071

O=C(c1cccc(-c2cccnc2)c1)N1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
CYP11B2 P19099 3/20 0.50
CYP11B1 P15538 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMO O15229 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ROCK2 O75116 1/20 0.47
PIK3CA P42336 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL14103922 0.88 HPGD (0.55) HPGDABL1BCRCYP11B2CYP11B1
SCHEMBL4785416 0.86 KMT2A (0.59) HPGDCA1CA2CA7CA9
SCHEMBL4785886 0.81 HPGD (0.57) HPGDCYP11B2CYP11B1CA1CA2
SCHEMBL14925159 0.79 HPGD (0.63) HPGDCA1CA2CA7CA9
SCHEMBL14916667 0.79 HPGD (0.63) HPGDCA1CA2CA7CA9
SCHEMBL14103595 0.76 KMT2A (0.52) HPGDCA1CA2CA7CA9
SCHEMBL4783634 0.76 CYP1A2 (0.54) HPGDKMT2AMEN1ROCK2ALDH1A1
SCHEMBL23856224 0.75 HPGD (0.69) HPGDKMT2AMEN1PKMSMN1; SMN2
SCHEMBL30062682 0.75 HPGD (0.69) HPGDKMT2AMEN1PKMSMN1; SMN2
SCHEMBL13943084 0.74 CDK4 (0.74)

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-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 WO disclosed