SCHEMBL14686015

SCHEMBL14686015

CCCc1n[nH]c2c(=O)n(C)c(-c3cc(S(=O)(=O)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3OCC)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PDE5A O76074 16/20 0.43
HDAC1 Q13547 8/20 0.43
HDAC6 Q9UBN7 8/20 0.43
HDAC2 Q92769 6/20 0.43
PDE2A O00408 1/20 0.42
PDE9A O76083 1/20 0.42
PDE4A P27815 1/20 0.42
PDE6C P51160 1/20 0.42
PDE1A P54750 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
PDE10A Q9Y233 1/20 0.42
HDAC3 O15379 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
ABCC5 O15440 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL14685941 0.91 KDM4E (0.46) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL14685954 0.86 KDM4E (0.48) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL14686004 0.84 PDE5A (0.43) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL14686022 0.83 KDM4E (0.42) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7002705 0.80 KDM4E (0.73) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL14686017 0.80 KDM4E (0.39) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7007807 0.78 KDM4E (0.61) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL3671938 0.77 PDE5A (0.63) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL7019550 0.76 PDE5A (0.46) PDE5AHDAC1HDAC6HDAC2PDE2A
SCHEMBL7778185 0.75 PDE5A (0.54) PDE5AHDAC1HDAC6PDE2APDE9A

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-2556820-A2 COMPOSITION CONTAINING PDE5 INHIBITOR FOR RELIEVING SKIN WRINKLES SK Chemicals, Co., Ltd. (KR) 2013-02-13 EP disclosed