SCHEMBL4785886

SCHEMBL4785886

O=C(c1cncc(-c2ccccc2)c1)N1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HSP90AA1 P07900 2/20 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
SCHEMBL4738640 0.86 KMT2A (0.76) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4785416 0.85 KMT2A (0.59) HPGDSMN1; SMN2MEN1KMT2ACA1
SCHEMBL14103923 0.83 HPGD (0.55) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4787071 0.81 HPGD (0.58) HPGDSMN1; SMN2MEN1KMT2ACA1
SCHEMBL10530895 0.77 ALDH1A1 (0.56) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL14103595 0.76 KMT2A (0.52) HPGDSMN1; SMN2MEN1KMT2ACA1
SCHEMBL4739367 0.74 CA1 (0.62) HPGDHTTMEN1KMT2ACA1
SCHEMBL29598514 0.74 STAT3 (0.68) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL27197578 0.74 STAT3 (0.68) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL14925159 0.74 HPGD (0.63) HPGDHTTSMN1; SMN2MEN1KMT2A

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