SCHEMBL8536790

SCHEMBL8536790

COC(=O)C=Cc1[c]ccc(-c2cccc(NC(=N)N)c2)c1NC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP14 Q460N5 2/20 0.41
PARP15 Q460N3 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL8544166 0.82 CNR1 (0.35) PARP1PARP10PARP14BTKF2
SCHEMBL8539472 0.74 PARP1 (0.47) PARP1PARP10PARP14PARP15SIRT2
SCHEMBL8536836 0.72 MGLL (0.33) MAPTBTKF2F10
SCHEMBL8538344 0.72 BTK (0.36) PARP1PARP10PARP14PARP15SIRT1
SCHEMBL8530521 0.71 ENPP2 (0.47) MEN1KMT2A
SCHEMBL8432812 0.70 ITGB3 (0.39) MEN1KMT2APOLBKDM4E
SCHEMBL8432519 0.69 PTGER4 (0.45) MEN1KMT2A
SCHEMBL8432447 0.69 PARP1 (0.37) PARP1PARP10ALDH1A1MAPTHPGD
SCHEMBL8431178 0.68 PLA2G10 (0.39) MAPTMEN1KMT2ACYP2C19
SCHEMBL8429316 0.67 ITGB3 (0.39) MEN1KMT2A

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 disclosed