SCHEMBL5843842

SCHEMBL5843842

COc1cc(OC)nc(Oc2cccc(C(N)=O)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
TNKS O95271 1/20 0.55
PARP15 Q460N3 1/20 0.55
PARP14 Q460N5 1/20 0.55
PARP10 Q53GL7 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
F10 P00742 4/20 0.53
F2 P00734 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL2901873 0.87 AKR1C3 (0.57) F10F2L3MBTL1SMN1; SMN2
SCHEMBL29503138 0.78 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
SCHEMBL283787 0.78 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
SCHEMBL13687397 0.77 PARP10 (0.78) PARP1TNKSPARP15PARP14PARP10
Hydrochloric Acid SCHEMBL407554 0.76 PARP1 (0.96) PARP1TNKSPARP15PARP14PARP10
Hydrochloric Acid SCHEMBL4377519 0.76 PARP1 (0.96) PARP1TNKSPARP15PARP14PARP10
SCHEMBL14189347 0.75 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL30466441 0.75 AKR1C3 (0.70) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL9767808 0.74 L3MBTL1 (0.75) L3MBTL1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9694796 0.74 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2CYP1A2CYP3A4GAA

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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed