SCHEMBL8081930

SCHEMBL8081930

CCc1cc(O)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CNR2 P34972 1/20 0.35
FGFR4 P22455 1/20 0.35
AR P10275 4/20 0.35
USP7 Q93009 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL7213409 0.79 MAPK1 (0.39) MAPK1CNR2FGFR4ARKDM4E
SCHEMBL2202379 0.78 MAPK1 (0.38) MAPK1CNR2FGFR4ARALDH1A1
SCHEMBL23586637 0.78 MAPK1 (0.38) MAPK1CNR2FGFR4ARALDH1A1
SCHEMBL15434726 0.78 NOS3 (0.52) MAPK1ARUSP7ALDH1A1KDM4E
SCHEMBL16670856 0.75 CNR2 (0.49) CNR2FGFR4ARKDM4ELRRK2
SCHEMBL11744305 0.75 S1PR2 (0.40) ALDH1A1KDM4EXDHL3MBTL1GAA
SCHEMBL465150 0.74 XDH (0.38) ARALDH1A1XDH
SCHEMBL24285877 0.73 AR (0.38) MAPK1CNR2FGFR4ARALDH1A1
SCHEMBL2153696 0.73 PDE3B (0.41) ARALDH1A1KDM4EKMT2AMEN1
SCHEMBL11238215 0.72 AR (0.37) MAPK1CNR2ARALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 EP disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 WO disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed