SCHEMBL16403521

SCHEMBL16403521

CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)C)cc3)c3c2C(=O)c2c(Sc4ccccc4)ccc(Sc4ccccc4)c2C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ P2RY4 P51582 4/20 0.40
▸ P2RY12 Q9H244 4/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ P2RY1 P47900 3/20 0.39
▸ P2RY6 Q15077 3/20 0.39
▸ PSD A5PKW4 1/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ SLC6A9 P48067 1/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35

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
SCHEMBL10936144 0.95 P2RY4 (0.39) MAPTKDM4ENSD2MAPK1P2RY4
SCHEMBL14508831 0.86 MAPT (0.50) MAPTKDM4ENSD2MAPK1P2RY4
SCHEMBL11603194 0.86 MAPT (0.50) MAPTKDM4ENSD2MAPK1P2RY4
SCHEMBL10935194 0.86 MAPT (0.50) MAPTKDM4ENSD2MAPK1P2RY4
SCHEMBL16402888 0.85 MAPT (0.51) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL14489850 0.85 AKR1C3 (0.47) MAPTKDM4EMAPK1P2RY4P2RY12
SCHEMBL10723607 0.85 MAPT (0.51) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL14508832 0.82 P2RY2 (0.37) MAPTKDM4ENSD2MAPK1P2RY4
SCHEMBL13110649 0.82 HPGD (0.36) MAPTKDM4EMAPK1P2RY4P2RY12
SCHEMBL14508828 0.82 P2RY2 (0.40) MAPTMAPK1P2RY4P2RY12P2RY2

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
EP-3022273-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME Saint-Gobain Glass France (FR) 2016-05-25 — — EP disclosed
WO-2015007218-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME SAINT-GOBAIN GLASS FRANCE (FR) 2015-01-22 — — WO disclosed
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