SCHEMBL28697572

SCHEMBL28697572

O=C1c2cccc3ccc([N+](=O)[O-])c(c23)C(=O)N1CCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.63
▸ HEXB P07686 4/20 0.63
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR7 P34969 2/20 0.47

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
SCHEMBL29405261 1.00 HEXA (0.63) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL28685171 0.93 HEXA (0.53) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL29406244 0.93 HEXA (0.53) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL28933540 0.84 HEXA (0.56) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL29405329 0.84 HEXA (0.56) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL11306933 0.84 CA1 (0.60) HEXAHEXBMEN1KMT2AL3MBTL1
SCHEMBL29903439 0.81 MEN1 (0.68) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL10261656 0.81 MEN1 (0.68) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL4997995 0.79 HEXA (1.00) HEXAHEXBMEN1KMT2ASMN1; SMN2
SCHEMBL1901643 0.76 FTO (0.72) HEXAHEXBMEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN claimed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN disclosed
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