SCHEMBL8521047

SCHEMBL8521047

Cc1ccc(NCC(=O)O)c([N+](=O)[O-])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ KAT2B Q92831 1/20 0.40
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ CLIC1 O00299 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ CLCN2 P51788 1/20 0.36
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL26920424 0.83 PTGER4 (0.61) MAPTALDH1A1PTGER4THRBHPGD
SCHEMBL8720435 0.76 ALDH1A1 (0.52) MAPTALDH1A1LMNATHRBHPGD
SCHEMBL28226632 0.73 ALDH1A1 (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL622250 0.72 MAPT (0.47) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9262055 0.72 ALDH1A1 (0.58) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL1653792 0.72 GPR35 (0.49) MAPTALDH1A1LMNAKAT2BL3MBTL1
SCHEMBL9370714 0.72 GPR35 (0.49) MAPTALDH1A1LMNAKAT2BMEN1
SCHEMBL7779743 0.71 ALDH1A1 (0.48) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL8609981 0.71 HSP90AA1 (0.49) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL29467493 0.71 PTGER4 (0.54) MAPTALDH1A1LMNAPTGER4HPGD

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-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 — — US disclosed
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