SCHEMBL8935338

SCHEMBL8935338

CC(N)(Cc1ccc(OCc2ccncc2)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.48
MAOB P27338 4/20 0.47
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
MAPK14 Q16539 1/20 0.44
NR4A2 P43354 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
EPHX2 P34913 1/20 0.44
BLM P54132 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL28503302 0.96 PARP10 (0.45) PARP10MAOBMMP2MMP13MAPK14
SCHEMBL27344680 0.94 MMP13 (0.44) PARP10MAOBMMP2MMP13MAPK14
SCHEMBL28904310 0.86 NPC1 (0.56) PARP10MAOB
SCHEMBL27309675 0.86 PARP10 (0.57) PARP10MAOBNR4A2
SCHEMBL28500733 0.85 MAOB (0.61) PARP10MAOBNR4A2
SCHEMBL28510234 0.85 MAOB (0.57) PARP10MAOBNR4A2
Hydrochloric Acid SCHEMBL27353104 0.85 PARP10 (0.56) PARP10MAOBNR4A2
SCHEMBL8935266 0.85 MMP13 (0.49) MMP2MMP13MMP1MMP9
SCHEMBL27311683 0.85 PPARG (0.53) PARP10MAOBNR4A2BLM
SCHEMBL28491503 0.83 PKM (0.45) PARP10MAOB

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed