SCHEMBL11241564

SCHEMBL11241564

CC(=O)NC1=CC(=N)C(C)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
S100A4 P26447 1/20 0.39
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.32
PKM P14618 2/20 0.32
NSD2 O96028 1/20 0.32
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL11240568 0.74 TDP1 (0.39) TDP1S100A4LMNAMEN1KMT2A
SCHEMBL14386783 0.73 TDP1 (0.49) TDP1S100A4LMNAIDO1MEN1
SCHEMBL5330070 0.71 TDP1 (0.47) TDP1S100A4IDO1MEN1KMT2A
SCHEMBL11238262 0.69 TDP1 (0.38) TDP1S100A4LMNAMEN1KMT2A
SCHEMBL11700504 0.68 TDP1 (0.37) TDP1S100A4IDO1MEN1KMT2A
SCHEMBL5328866 0.66 TDP1 (0.42) TDP1S100A4IDO1MEN1KMT2A
SCHEMBL5328420 0.65 TDP1 (0.41) TDP1S100A4IDO1MEN1KMT2A
SCHEMBL6295304 0.64 TDP1 (0.44) TDP1S100A4LMNAMEN1KMT2A
SCHEMBL11252306 0.64 TDP1 (0.40) TDP1S100A4LMNAMEN1KMT2A
SCHEMBL15426748 0.64 TDP1 (0.44) TDP1S100A4LMNAMEN1KMT2A

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-4361516-A N-Monosubstituted indoanilines SOCIETE ANONYME DITE: L'OREAL (FR) 1982-11-30 US disclosed