SCHEMBL27735722

SCHEMBL27735722

CCCCNC(=O)C=Cc1cccc(Br)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A19 Q695T7 1/20 0.75
EGFR P00533 1/20 0.63
HPGD P15428 2/20 0.62
APP P05067 2/20 0.59
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 1/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B3 P37058 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
HDAC3 O15379 1/20 0.52
BACE1 P56817 1/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
Cinromide SCHEMBL35056 0.86 SLC6A19 (1.00) SLC6A19ALDH1A1KMT2AMAPTHTT
Cinromide SCHEMBL35055 0.86 SLC6A19 (1.00) SLC6A19ALDH1A1KMT2AMAPTHTT
SCHEMBL27542057 0.85 MMP1 (0.66) EGFRHPGDAPPKMT2ACYP1A2
N-Butylcinnamamide SCHEMBL3688039 0.83 EGFR (0.88) EGFRAPPKMT2AMAPTHTT
N-Butylcinnamamide SCHEMBL6231267 0.83 EGFR (0.88) EGFRAPPKMT2AMAPTHTT
SCHEMBL8756506 0.80 EGFR (0.73) EGFRHPGDAPPKMT2ACYP1A2
SCHEMBL8756520 0.80 EGFR (0.73) EGFRHPGDAPPKMT2ACYP1A2
SCHEMBL8757222 0.80 EGFR (0.73) EGFRHPGDAPPKMT2ACYP1A2
SCHEMBL8757229 0.80 EGFR (0.73) EGFRHPGDAPPKMT2ACYP1A2
SCHEMBL8756511 0.80 EGFR (0.73) EGFRHPGDAPPKMT2ACYP1A2

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-101274901-B Synthetic method for (E)-3-aryl-2-acrylic amide compound UNIV ZHEJIANG 2010-06-23 CN disclosed
CN-101274901-A Synthetic method for (E)-3-aryl-2-acrylic amide compound UNIV ZHEJIANG (CN) 2008-10-01 CN disclosed