SCHEMBL11665258

SCHEMBL11665258

O=[N+]([O-])c1ccc(OCC(O)CO)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ TTR P02766 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSPB1 P04792 3/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45

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 0.93 KMT2A (0.51) KMT2AMEN1MAPTTTRLMNA
SCHEMBL11665102 0.87 L3MBTL1 (0.49) KMT2AMEN1MAPTTTRLMNA
SCHEMBL11154930 0.87 ALDH1A1 (0.52) KMT2AMEN1MAPTTTRLMNA
SCHEMBL11665294 0.86 MEN1 (0.46) KMT2AMEN1MAPTTTRLMNA
SCHEMBL9794575 0.86 GPR35 (0.45) KMT2AMEN1TTRLMNAKDM4E
SCHEMBL19009004 0.84 TTR (0.50) KMT2AMEN1MAPTTTRLMNA
SCHEMBL13172174 0.84 S1PR4 (0.49) KMT2AMEN1LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10417398 0.84 GPR35 (0.44) KMT2AMEN1TTRLMNAKDM4E
SCHEMBL11664059 0.84 MAPT (0.49) KMT2AMEN1MAPTTTRLMNA
SCHEMBL11665359 0.84 KMT2A (0.47) KMT2AMEN1MAPTTTRLMNA

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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