SCHEMBL20055032

SCHEMBL20055032

CCc1ccc(-c2ccc(-c3ccc4nc(C(C)C)[nH]c4c3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
AAK1 Q2M2I8 10/20 0.43
NPBWR1 P48145 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHEK2 O96017 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20055168 0.88 MPL (0.47) KDM4ELMNAHSD17B10ALDH1A1ALOX15
SCHEMBL10278422 0.86 CYP1A2 (0.50) KDM4ELMNAHSD17B10ALDH1A1AAK1
SCHEMBL2706815 0.86 KDM4E (0.49) KDM4ELMNAHSD17B10ALDH1A1ALOX15
SCHEMBL10141265 0.81 ALDH1A1 (0.60) KDM4ELMNAHSD17B10ALDH1A1ALOX15
SCHEMBL9980120 0.81 SCN10A (0.48) KDM4ELMNAHSD17B10ALDH1A1ALOX15
SCHEMBL20055596 0.78 GAA (0.43) KDM4EAAK1HDAC3HDAC1HDAC8
SCHEMBL20055347 0.76 CYP1A2 (0.48) KDM4ELMNAHSD17B10ALDH1A1AAK1
SCHEMBL2705606 0.73 KDM4E (0.65) KDM4ELMNAHSD17B10ALDH1A1ALOX15
SCHEMBL13070866 0.73 SCN10A (0.43) KDM4EAAK1HTTKMT2A
SCHEMBL9980127 0.73 ALDH1A1 (0.48) KDM4EHSD17B10ALDH1A1HDAC3HDAC1

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
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed