SCHEMBL8779083

SCHEMBL8779083

NCC(=O)NC(=O)Oc1nc(OCC2CCCCC2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.40
PARP15 Q460N3 3/20 0.40
CDK2 P24941 11/20 0.39
CDK1 P06493 4/20 0.39
CNR2 P34972 1/20 0.38
CCNA2 P20248 9/20 0.37
CCNA1 P78396 8/20 0.37
PARP2 Q9UGN5 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL8779237 0.84 LOX (0.36) CDK2CDK1
SCHEMBL8883607 0.82 PARP10 (0.41) PARP10PARP15CDK2CDK1CNR2
SCHEMBL8779424 0.80 MAPK8 (0.37) PARP10
SCHEMBL8779132 0.78 ACACB (0.34) ADORA3
SCHEMBL8779225 0.78 PARP15 (0.40) PARP10PARP15CDK2CNR2CCNA2
SCHEMBL8779023 0.77 KDM4E (0.36)
SCHEMBL8779178 0.77 PRKD3 (0.33)
SCHEMBL8779309 0.77 L3MBTL1 (0.39) CNR2
SCHEMBL8786517 0.77 PARP15 (0.41) PARP10PARP15CNR2PARP2
SCHEMBL8779244 0.76 LTA4H (0.44) PARP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed