SCHEMBL31174348

SCHEMBL31174348

CCCc1nn(C)c2c(=O)nc(-c3cc(C(=O)N4CCC(CC)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.55
PDE6C P51160 3/20 0.55
HDAC1 Q13547 15/20 0.51
HDAC6 Q9UBN7 14/20 0.51
HDAC2 Q92769 8/20 0.49
PDE3A Q14432 3/20 0.48
PDE3B Q13370 2/20 0.48
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
PDE2A O00408 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCC5 O15440 1/20 0.47
PDE6D O43924 1/20 0.47
PDE8A O60658 1/20 0.47
PDE9A O76083 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47

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
SCHEMBL2032052 0.84 PDE5A (0.74) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL19518053 0.81 PDE5A (0.66) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL2032429 0.80 PDE5A (0.78) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL18069562 0.80 PDE5A (0.65) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL22558019 0.79 KMT2A (0.62) PDE5APDE6CPDE3APDE3BPDE2A
SCHEMBL29393046 0.79 KMT2A (0.62) PDE5APDE6CPDE3APDE3BPDE2A
SCHEMBL29707546 0.78 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL145682 0.78 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL28416630 0.77 PDE5A (0.76) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL18686087 0.77 PDE5A (0.56) PDE5APDE6CHDAC1HDAC6HDAC2

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
CN-118515676-A Synthetic method and application of cabazitaxel analogue 湖北省食品质量安全监督检验研究院 2024-08-20 CN disclosed