SCHEMBL11836616

SCHEMBL11836616

CC(C#N)N(C)c1ccc(C=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
TRIM24 O15164 2/20 0.41
TRIM33 Q9UPN9 2/20 0.41
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
USP2 O75604 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
THRB P10828 2/20 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
SCHEMBL5728601 0.83 TYR (0.54) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL5147106 0.81 TYR (0.53) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL29446225 0.76 TYR (0.52) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL1001895 0.76 TYR (0.52) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL8947827 0.74 CYP2A6 (0.52) TYRALDH1A1MEN1KMT2AMAPT
SCHEMBL14940735 0.74 TYR (0.56) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL11740869 0.72 ALDH1A1 (0.42) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL5729223 0.70 TYR (0.46) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL31167310 0.69 TYR (0.45) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL11443303 0.69 TRIM24 (0.46) TYRTRIM24TRIM33ALDH1A1MEN1

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
US-3971808-A Spirodipyrans and chromogenic materials for copying processes BASF AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed