SCHEMBL23969719

SCHEMBL23969719

C/C=C\c1sc(CC)nc1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL24181363 0.80 NPC1 (0.35) NPC1GAAMAPK1RAB9A
SCHEMBL2463655 0.78 ALDH1A1 (0.43) COMTNPC1GAAMAPK1RAB9A
SCHEMBL27509597 0.74 MAPT (0.39) COMTNPC1GAAMAPK1RAB9A
SCHEMBL23874485 0.74 LMNA (0.31) COMT
SCHEMBL16809381 0.72 NPC1 (0.32) NPC1GAAMAPK1RAB9A
SCHEMBL115387 0.69
SCHEMBL15796727 0.67 COMT (0.42) COMTNPC1GAAMAPK1RAB9A
Ammonia Solution, Strong SCHEMBL4486064 0.67 NOS1 (0.42) COMTNPC1GAAMAPK1RAB9A
SCHEMBL12251583 0.67 KMT2A (0.48) COMTNPC1GAAMAPK1RAB9A
SCHEMBL27533523 0.67 COMT (0.39) COMTNPC1GAAMAPK1RAB9A

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
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed