SCHEMBL11100463

SCHEMBL11100463

CCSC=C(C#N)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 7/20 0.43
CES1 P23141 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL11100461 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL11721438 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL13447220 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL12513976 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL11110976 0.78 MAOB (0.42) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL11110974 0.78 MAOB (0.42) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL11103367 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL11103370 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL13696927 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EPKM
SCHEMBL10716566 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTKDM4EPKM

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
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed