SCHEMBL8539472

SCHEMBL8539472

COC(=O)C=Cc1[c]cccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PLAU P00749 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 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
SCHEMBL8536796 0.82 ALDH1A1 (0.46) ALDH1A1KCNK3KCNK9PLAUMEN1
SCHEMBL8536831 0.80 KCNK3 (0.46) SIRT2ALDH1A1KCNK3KCNK9PLAU
SCHEMBL7497379 0.79 PARP1 (0.51) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL7497389 0.79 PARP1 (0.51) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL7509243 0.76 ITGB3 (0.55) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL7509239 0.76 ITGB3 (0.55) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL8542403 0.75 KCNK3 (0.41) SIRT2ALDH1A1KCNK3KCNK9MEN1
SCHEMBL8537945 0.75 PTGS1 (0.46) SIRT2KCNK3KCNK9MEN1KMT2A
SCHEMBL8536790 0.74 PARP1 (0.41) PARP1PARP15PARP14PARP10SIRT2
SCHEMBL8540350 0.73 ITGB3 (0.50) PARP1PARP15PARP14PARP10ALDH1A1

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
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed