SCHEMBL20628632

SCHEMBL20628632

C/C=C\C(=C/C)c1ccc(Nc2ccc(-c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ AURKA O14965 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
SCHEMBL24080716 0.89 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL20628629 0.88 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL20628349 0.79 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL20628351 0.78 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL18573463 0.76 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL12367621 0.76 ALDH1A1 (0.60) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL20709641 0.75 PDK2 (0.39) KMT2AMEN1POLB
SCHEMBL21159922 0.74 BRAF (0.39) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL16858249 0.74 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1PTGS2MAPK1
SCHEMBL24370026 0.74 ALDH1A1 (0.57) MAPK13MAPK12MAPK11MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424907-A2 CONNECTIONS AND ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-01-09 — — EP disclosed
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