SCHEMBL9840448

SCHEMBL9840448

CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.48
CYP3A4 P08684 2/20 0.48
RARA P10276 2/20 0.48
MLYCD O95822 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RPS6KA2 Q15349 1/20 0.46
ESR1 P03372 1/20 0.46
MAPK14 Q16539 3/20 0.45
NAMPT P43490 2/20 0.45
MAPKAPK2 P49137 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLK2 Q86UE8 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9375907 0.91 PGR (0.50) CYP26A1CYP3A4RARAMLYCDMEN1
SCHEMBL9865366 0.85 MAPT (0.52) CYP3A4MEN1KMT2ARAB9ALMNA
SCHEMBL9375391 0.85 CYP26A1 (0.52) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9376571 0.85 CYP26A1 (0.52) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9380149 0.84 PRKAA2 (0.44) MEN1KMT2ANPC1RAB9AMAPK14
SCHEMBL9380901 0.84 MEN1 (0.53) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9379538 0.84 MEN1 (0.53) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9840186 0.84 CYP26A1 (0.51) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9375261 0.84 BACE1 (0.55) CYP26A1CYP3A4RARAMEN1KMT2A
SCHEMBL9374793 0.84 CYP26A1 (0.53) CYP26A1CYP3A4RARAMEN1KMT2A

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-1991001986-A1 N-(DIALKYLOXOPHOSPHINYLALKYL)-LACTAMS, PROCESS FOR PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-02-21 WO disclosed