SCHEMBL8935261

SCHEMBL8935261

CC(N)(Cc1ccc(OCc2cccs2)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
TRPM8 Q7Z2W7 6/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
ALOX5AP P20292 1/20 0.42
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 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
SCHEMBL27309675 0.81 PARP10 (0.57) CYP1A2CYP2C19GAARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL27353104 0.80 PARP10 (0.56) GAARAB9AL3MBTL1SMN1; SMN2LTA4H
SCHEMBL27311683 0.80 PPARG (0.53) L3MBTL1BLMSMN1; SMN2
SCHEMBL8935338 0.79 PARP10 (0.48) BLM
SCHEMBL28904310 0.79 NPC1 (0.56) POLBRAB9ANPC1SMN1; SMN2
SCHEMBL8935371 0.79 GAA (0.56) POLBGAARAB9ANPC1L3MBTL1
SCHEMBL8935384 0.78 PARP10 (0.43) TRPM8HPGDBLMLTA4H
SCHEMBL28500733 0.77 MAOB (0.61)
SCHEMBL28510234 0.77 MAOB (0.57) RAB9ANPC1SMN1; SMN2
SCHEMBL28503302 0.77 PARP10 (0.45) POLBRAB9ABLM

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