SCHEMBL28705698

SCHEMBL28705698

Cc1cccc2nc(CCN)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
RAD52 P43351 1/20 0.43
UBE2N P61088 1/20 0.43
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 1/20 0.38
PDE10A Q9Y233 2/20 0.38
HTR7 P34969 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1917212 0.85 ADORA3 (0.42) MAPTPOLBPDE10A
SCHEMBL4359050 0.82 GAA (0.44) SMN1; SMN2NPSR1NPC1RAB9AMEN1
SCHEMBL8973667 0.82 POLB (0.45) POLBPDE10AKMT2A
SCHEMBL6755253 0.82 PARP1 (0.54) POLBKMT2A
SCHEMBL4919557 0.81 DDAH1 (0.55) SMN1; SMN2NPSR1NPC1RAB9AMEN1
SCHEMBL6753970 0.81 PARP1 (0.49) POLB
SCHEMBL6756269 0.81 AAK1 (0.44) SMN1; SMN2NPSR1POLBPDE10ANPC1
SCHEMBL6753950 0.81 RAB9A (0.59) MAPTSMN1; SMN2PDE10ANPC1RAB9A
SCHEMBL6759164 0.80 PARP1 (0.48) POLB
SCHEMBL6757114 0.80 PARP1 (0.48) POLB

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
CN-112313274-B Crosslinkable nitrile rubber composition and crosslinked rubber 日本瑞翁株式会社 2022-08-12 CN disclosed
CN-110461892-B Nitrile group-containing copolymer rubber 日本瑞翁株式会社 2022-02-11 CN disclosed