SCHEMBL1705657

SCHEMBL1705657

C=C(C)c1ccccc1CNCc1ccccc1C(=C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
CA12 O43570 5/20 0.41
CA2 P00918 5/20 0.41
PKM P14618 1/20 0.40
CA9 Q16790 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MPO P05164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL10984753 0.90 TSHR (0.39) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL9101139 0.81 CA12 (0.39) TSHRCA12CA2CA9KDM4E
SCHEMBL3284499 0.80 ALDH1A1 (0.43) TSHRCYP2D6KDM4EALDH1A1LMNA
SCHEMBL15994567 0.80 HPGD (0.50) TSHRCYP2D6KDM4EALDH1A1HPGD
SCHEMBL10984481 0.80 MAPK1 (0.36) CYP2D6KDM4EALDH1A1HPGDLMNA
SCHEMBL1066307 0.78 LMNA (0.43) TSHRALDH1A1HPGDLMNAMAOA
SCHEMBL29396009 0.78 GABRA1 (0.44) TSHRALDH1A1HPGDLMNA
SCHEMBL721894 0.78 GABRA1 (0.44) TSHRALDH1A1HPGDLMNA
Dimethylamine SCHEMBL27844896 0.78 CLCN2 (0.41) TSHRALDH1A1HPGDLMNA
SCHEMBL10991103 0.77 ALDH1A1 (0.37) TSHRALDH1A1HPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357943-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2022-07-20 EP claimed
EP-2440326-B1 POLYSACCHARIDE MATRIX HAVING A GRAFTED POLYMER, METHOD FOR PRODUCING THE SAME AND USE THEREOF SARTORIUS STEDIM BIOTECH GMBH (DE) 2017-10-04 EP disclosed
EP-2440326-A1 POLYSACCHARIDE MATRIX HAVING A GRAFTED POLYMER, METHOD FOR PRODUCING THE SAME AND USE THEREOF Sartorius Stedim Biotech GmbH (DE) 2012-04-18 EP disclosed
WO-2010142363-A1 POLYSACCHARIDE MATRIX HAVING A GRAFTED POLYMER, METHOD FOR PRODUCING THE SAME AND USE THEREOF SARTORIUS STEDIM BIOTECH GMBH (DE) 2010-12-16 WO disclosed