SCHEMBL11021047

SCHEMBL11021047

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
PPARG P37231 1/20 0.58
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 2/20 0.52
ALOX5 P09917 2/20 0.51
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 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
SCHEMBL10924211 0.94 MAPT (0.56) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL27529813 0.84 ALOX5 (0.57) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL3453990 0.83 HSD17B10 (0.61) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10917701 0.82 ALOX5 (0.54) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL6968778 0.81 MAPT (0.56) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL4452103 0.81 ALDH1A1 (0.53) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL2823735 0.81 ALDH1A1 (0.68) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL28491071 0.81 KMT2A (0.62) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL11873963 0.79 ALDH1A1 (0.55) MAPTPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16335594 0.79 PKM (0.68) MAPTPPARGALDH1A1SMN1; SMN2KDM4E

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-1054590-A The benzoic acid herbicides that 6-aryl-2-replaces FMC CORP (US) 1991-09-18 CN disclosed
EP-0149754-A2 Liquid-crystal compound, liquid crystal composition and liquid crystal display device HITACHI, LTD. (JP) 1985-07-31 EP disclosed