SCHEMBL7523076

SCHEMBL7523076

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
KDM4E B2RXH2 7/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 3/20 0.39
EGFR P00533 3/20 0.39
CYP1A2 P05177 3/20 0.39
LCK P06239 2/20 0.39
ERBB2 P04626 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RPS6KA3 P51812 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL175409 0.81 EGFR (0.40) KDM4EALDH1A1EGFRHPGD
SCHEMBL45458 0.81 EGFR (0.40) KDM4EALDH1A1EGFRHPGD
SCHEMBL17813318 0.81 KDM4E (0.35) KDM4EMAPTMEN1KMT2ATDP1
SCHEMBL8720918 0.76
SCHEMBL27703040 0.74
SCHEMBL3711696 0.74
SCHEMBL541315 0.72 CYP2C9 (0.56) KDM4EMAPTMEN1KMT2ATDP1
SCHEMBL1934745 0.71 MCL1 (0.39) MCL1KDM4EMAPTMEN1KMT2A
SCHEMBL1934747 0.71 MCL1 (0.39) MCL1KDM4EMAPTMEN1KMT2A
SCHEMBL15804824 0.71 EGFR (0.42) MCL1KDM4EMAPTMEN1KMT2A

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
CN-1360605-A Thermoplastic polymer having polar group, use thereof, and unsaturated compounds having polar group MITSUI CHEMICALS INC (JP) 2002-07-24 CN disclosed
EP-1197504-A1 THERMOPLASTIC POLYMER HAVING POLAR GROUP, USE THEREOF, AND UNSATURATED COMPOUNDS HAVING POLAR GROUP Mitsui Chemicals, Inc. (JP) 2002-04-17 EP disclosed