SCHEMBL13067945

SCHEMBL13067945

C#CCCC(=O)N(C)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 2/20 0.41
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 3/20 0.36
MLYCD O95822 1/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
MAOA P21397 2/20 0.34
CYP1A2 P05177 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
POLQ O75417 1/20 0.33
ITGB3 P05106 1/20 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
SCHEMBL102048 0.84 FOLH1 (0.45) MLYCDLMNAMAOAPOLQGAA
SCHEMBL101719 0.83 POLQ (0.48) ALDH1A1CYP3A4TP53KMT2AMLYCD
SCHEMBL3930452 0.80 PPIB (0.44) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL13723886 0.80 PPIB (0.44) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL3156597 0.78 PHLPP2 (0.46) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL737988 0.75 ALDH1A1 (0.47) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4506617 0.75 PPIB (0.47) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL3528672 0.75 PHLPP2 (0.44) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL7110802 0.75 FOLH1 (0.46) PPIBALDH1A1CYP3A4MAPK1TDP1
SCHEMBL4738078 0.75 PPIB (0.47) PPIBALDH1A1CYP3A4MAPK1TDP1

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
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO disclosed