SCHEMBL27588271

SCHEMBL27588271

CCc1c(N)ccc(C)c1N(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.47
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
PSMD14 O00487 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.32
SKP2 Q13309 1/20 0.31
CASP1 P29466 1/20 0.30
GAA P10253 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL11884085 0.76 S100B (0.41) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL109396 0.74 NOS2 (0.48) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL27835542 0.74 GABRP (0.41) S100BALDH1A1TDP1CYP3A4RECQL
SCHEMBL8586252 0.73 S100B (0.47) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL2954428 0.73 NOS2 (0.42) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL6356384 0.73 NOS3 (0.42) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL5514568 0.72 CD44 (0.46) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL4636717 0.71 S100B (0.48) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL215981 0.71 NOS3 (0.41) S100BALDH1A1TDP1CYP3A4TSHR
SCHEMBL23372155 0.69 NOS3 (0.39) S100BALDH1A1TDP1CYP3A4TSHR

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-100529964-C Positive photosensitive resin composition TORAY INDUSTRIES (JP) 2009-08-19 CN disclosed
CN-1536442-A Positive photosensitive resin composition 东丽株式会社 2004-10-13 CN disclosed