SCHEMBL8388992

SCHEMBL8388992

N#CC=C(C#N)C(=O)OCCOC(=O)C(C#N)=CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.46
CYP2C9 P11712 2/20 0.43
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
PTP4A1 Q93096 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL11802050 0.90 DNM1 (0.40) DNM1CYP2C9MAPTMEN1KMT2A
Ethylene SCHEMBL11802046 0.87 TSHR (0.38) DNM1CYP2C9MAPTMEN1KMT2A
SCHEMBL8381885 0.87 DNM1 (0.46) DNM1CYP2C9ALDH1A1
SCHEMBL14763315 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL14763576 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL14764711 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL15844697 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL15845246 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL15844696 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1
SCHEMBL15844886 0.85 DNM1 (0.44) DNM1CYP2C9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11029543-A None JP disclosed
JP-H1129543-A PRODUCTION OF PURIFYED 2-CYANOACRYLATE TOAGOSEI CO LTD 1999-02-02 JP disclosed