SCHEMBL8935384

SCHEMBL8935384

CC(N)(Cc1ccc(OCc2ccsc2)cc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.43
PARP15 Q460N3 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.42
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
LTA4H P09960 2/20 0.40
FFAR1 O14842 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MAOB P27338 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
SCHEMBL27309675 0.82 PARP10 (0.57) PARP10NR4A2LTA4HFFAR1MAOB
SCHEMBL28904310 0.82 NPC1 (0.56) PARP10FFAR1MAOB
Hydrochloric Acid SCHEMBL27353104 0.81 PARP10 (0.56) PARP10NR4A2LTA4HFFAR1MAOB
SCHEMBL28500733 0.81 MAOB (0.61) PARP10NR4A2FFAR1MAOB
SCHEMBL28510234 0.81 MAOB (0.57) PARP10NR4A2MAOB
SCHEMBL27311683 0.81 PPARG (0.53) PARP10BLMNR4A2FFAR1MAOB
SCHEMBL8935338 0.80 PARP10 (0.48) PARP10BLMNR4A2RXRARXRB
SCHEMBL28503302 0.78 PARP10 (0.45) PARP10BLMNR4A2RXRARXRB
SCHEMBL8935272 0.78 ACACB (0.47) PARP10BLMSLC1A3SLC1A2SLC1A1
SCHEMBL8935261 0.78 POLB (0.47) HPGDBLMLTA4HTRPM8

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