SCHEMBL11662181

SCHEMBL11662181

O=[N+]([O-])c1ccc(OCCC(O)CNOP(=O)(O)O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GRM8 O00222 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ PRSS1 P07477 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TTR P02766 2/20 0.37
▸ HSPB1 P04792 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11663511 0.89 KMT2A (0.45) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11663190 0.88 MAPT (0.41) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11662188 0.83 MEN1 (0.41) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11662282 0.83 CA1 (0.47) MAPTPKMALDH1A1
SCHEMBL11662187 0.83 MEN1 (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11664075 0.83 MEN1 (0.39) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11665302 0.81 KMT2A (0.42) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11663778 0.80 RAB9A (0.53) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11665294 0.80 MEN1 (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL11662243 0.79 PRSS1 (0.47) MAPTMEN1KMT2AKDM4ELMNA

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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