SCHEMBL8727263

SCHEMBL8727263

Cc1c(N)ccc(C#N)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
HDAC1 Q13547 1/20 0.39
IMPDH2 P12268 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
AS3MT Q9HBK9 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4309390 0.82 MAOB (0.50) MAOBMAPTL3MBTL1MAPK1TDP1
SCHEMBL11521229 0.80 PTPN1 (0.52) MAOBTSHRMAPTL3MBTL1MAPK1
SCHEMBL28326137 0.78 MAOB (0.51) MAOBMAPTL3MBTL1MAPK1TDP1
Fluoride SCHEMBL28325117 0.76 MAOB (0.56) MAOBTSHRMAPTL3MBTL1MAPK1
SCHEMBL27496007 0.74 KDM4E (0.46) TSHRIMPDH2GAAMEN1ALDH1A1
SCHEMBL6950623 0.73 MAOB (0.54) MAOBIMPDH2SMN1; SMN2GAAXDH
SCHEMBL19828694 0.73 PTPN1 (0.56) MAOBTSHRMAPTL3MBTL1MAPK1
SCHEMBL8316680 0.73 MAOB (0.55) MAOBTSHRMAPTL3MBTL1MAPK1
SCHEMBL23887978 0.73 MAOB (0.74) MAOBMAPTL3MBTL1IMPDH2SMN1; SMN2
SCHEMBL627370 0.73 MAOB (0.74) MAOBMAPTL3MBTL1IMPDH2SMN1; SMN2

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-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed