SCHEMBL28691276

SCHEMBL28691276

O=C(O)c1ccc([N+](=O)[O-])c2cccc(C(=O)NCCO)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29402417 1.00 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL29405418 0.86 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL28701186 0.86 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL31401808 0.84 TSHR (0.56) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL4442634 0.84 TSHR (0.56) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL28933542 0.83 KMT2A (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29402621 0.83 KMT2A (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28697568 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29404940 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL11808349 0.77 TDP1 (0.55) ALDH1A1NPC1RAB9ATSHRMEN1

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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