SCHEMBL29405418

SCHEMBL29405418

O=C(O)c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])ccc(C(=O)NCCO)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ DTYMK P23919 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL28701186 1.00 NPC1 (0.43) NPC1RAB9AKMT2AGSTP1GSTM2
SCHEMBL29402417 0.86 ALDH1A1 (0.42) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL28691276 0.86 ALDH1A1 (0.42) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL11440939 0.82 CYP1A2 (0.58) KMT2ACYP1A2CYP3A4DTYMKALDH1A1
SCHEMBL28933542 0.81 KMT2A (0.48) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL29402621 0.81 KMT2A (0.48) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL28697568 0.77 ALDH1A1 (0.46) NPC1RAB9AKMT2AHPGDHTT
SCHEMBL29404940 0.77 ALDH1A1 (0.46) NPC1RAB9AKMT2AHPGDHTT
SCHEMBL28738502 0.75 CTSD (0.66) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL11010758 0.73 NPC1 (0.50) NPC1RAB9AKMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 — — 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 claimed
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 — — CN disclosed
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
Send feedback