SCHEMBL11665833

SCHEMBL11665833

CC(=O)OCC(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ TTR P02766 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADRB2 P07550 4/20 0.42
▸ ADRB1 P08588 4/20 0.42
▸ ADRB3 P13945 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HSPB1 P04792 1/20 0.41

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
SCHEMBL11149431 0.89 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11665150 0.89 MEN1 (0.45) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11665104 0.85 NPC1 (0.51) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11665113 0.85 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11662417 0.83 KMT2A (0.42) KMT2AMEN1MAPTTTRKDM4E
SCHEMBL11665258 0.83 KMT2A (0.48) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11665102 0.82 L3MBTL1 (0.49) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11664059 0.81 MAPT (0.49) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11154930 0.81 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2MAPTTTR
SCHEMBL11664357 0.80 KMT2A (0.64) KMT2AMEN1SMN1; SMN2MAPTLMNA

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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