SCHEMBL7994142

SCHEMBL7994142

Cc1ccc(C=C(C#N)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.76
ERBB2 P04626 6/20 0.76
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 4/20 0.60
PKM P14618 2/20 0.60
ATM Q13315 1/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
POLB P06746 3/20 0.57
MAPK1 P28482 3/20 0.57
USP2 O75604 2/20 0.57
LMNA P02545 2/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL7994141 1.00 EGFR (0.76) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL14103907 0.90 EGFR (0.64) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL18292349 0.87 EGFR (1.00) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL16104240 0.84 EGFR (0.57) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL1792662 0.82 EGFR (0.71) EGFRALDH1A1KDM4EHPGDCYP3A4
SCHEMBL995609 0.82 EGFR (0.71) EGFRALDH1A1KDM4EHPGDCYP3A4
SCHEMBL21430785 0.82 EGFR (0.54) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL995610 0.82 EGFR (0.71) EGFRALDH1A1KDM4EHPGDCYP3A4
SCHEMBL29516805 0.81 EGFR (0.52) EGFRERBB2KMT2AALDH1A1KDM4E
SCHEMBL30060813 0.79 KMT2A (0.72) EGFRERBB2KMT2AALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed