SCHEMBL29502811

SCHEMBL29502811

CCCCCCOc1c(F)c2c(c(F)c1Nc1ccc(C#N)c(C#N)c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
FABP4 P15090 5/20 0.33
FABP5 Q01469 5/20 0.33

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
SCHEMBL22283398 1.00 SRC (0.40) SRCALDH1A1HPGDPTPN1CDC25B
SCHEMBL8393315 0.92 EGFR (0.39) SRCALDH1A1HPGDCDC25BEGFR
SCHEMBL29502806 0.92 EGFR (0.39) SRCALDH1A1HPGDCDC25BEGFR
SCHEMBL8391652 0.83 EGFR (0.39) SRCEGFRERBB2
SCHEMBL29502807 0.83 EGFR (0.39) SRCEGFRERBB2
SCHEMBL6653689 0.82 USP8 (0.45) USP8USP7EGFR
SCHEMBL21816981 0.80 USP8 (0.43) USP8USP7EGFR
SCHEMBL7933074 0.77 TBXA2R (0.38) SRCALDH1A1HPGDCDC25B
SCHEMBL7933041 0.73 PDE4B (0.38) EGFRERBB2
SCHEMBL7928265 0.73 TSHR (0.41) SRCALDH1A1

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
CN-113661065-B Resin composition, molded body, optical layer, cover member, and moving body 住友电木株式会社 2022-05-10 CN disclosed