SCHEMBL9315438

SCHEMBL9315438

COc1ccccc1C=[N+]([O-])c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RXRA P19793 1/20 0.46
TTR P02766 2/20 0.44
NFE2L2 Q16236 2/20 0.44
TFEB P19484 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL31538756 1.00 MAPT (0.47) MAPTNPC1LMNARAB9ABCHE
SCHEMBL9316426 0.85 NPC1 (0.50) MAPTNPC1LMNARAB9ABCHE
SCHEMBL31538753 0.85 NPC1 (0.50) MAPTNPC1LMNARAB9ABCHE
SCHEMBL11410414 0.85 NFE2L2 (0.49) MAPTNPC1LMNARAB9ABCHE
SCHEMBL18241562 0.76 G6PD (0.61) MAPTNPC1RAB9AALDH1A1CA1
SCHEMBL9316413 0.74 CA1 (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9315739 0.73 MEN1 (0.54) MAPTNPC1LMNARAB9ABCHE
SCHEMBL28381130 0.72 LMNA (0.51) MAPTNPC1LMNARAB9ABCHE
SCHEMBL28381129 0.72 LMNA (0.51) MAPTNPC1LMNARAB9ABCHE
SCHEMBL17250800 0.72 ALDH1A1 (0.61) MAPTNPC1RAB9AALDH1A1KMT2A

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-5310620-A Alkali-soluble nitrone compounds and contrast enhanced material comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-05-10 US disclosed