SCHEMBL9722263

SCHEMBL9722263

COc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MAPK1 P28482 4/20 0.50
ABCB1 P08183 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
ABCC1 P33527 2/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50
HTR7 P34969 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL28874514 0.87 ALOX5 (0.57) MAPTMAPK1ABCB1TP53SMN1; SMN2
SCHEMBL182941 0.86 MAPK1 (0.56) MAPTMAPK1ABCB1TP53SMN1; SMN2
SCHEMBL1663978 0.85 ALDH1A1 (0.54) MAPTMAPK1ABCB1TP53SMN1; SMN2
SCHEMBL4368126 0.84 MAPT (0.67) MAPTMAPK1TP53SMN1; SMN2ALDH1A1
SCHEMBL29484215 0.84 MAPT (0.67) MAPTMAPK1TP53SMN1; SMN2ALDH1A1
SCHEMBL3137381 0.83 MAPT (0.48) MAPTMAPK1ABCB1TP53SMN1; SMN2
SCHEMBL375109 0.82 MAPT (0.53) MAPTMAPK1ABCB1SMN1; SMN2ALDH1A1
SCHEMBL12312144 0.82 PDGFRB (0.57) MAPTMAPK1ABCB1SMN1; SMN2ALDH1A1
SCHEMBL9306308 0.81 MAPT (0.62) MAPTMAPK1TP53SMN1; SMN2ALDH1A1
SCHEMBL4407574 0.81 ALDH1A1 (0.50) MAPTMAPK1ABCB1SMN1; SMN2ALDH1A1

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
US-5164111-A Polymerizable liquid-crystal material and polymers exhibiting liquid-crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed