SCHEMBL28742644

SCHEMBL28742644

O=C(/C=N/O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ CTSD P07339 1/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALPL P05186 1/20 0.44

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
SCHEMBL27446798 1.00 ALDH1A1 (0.54) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL28134120 0.85 GPR35 (0.55) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL10547269 0.81 ALDH1A1 (0.49) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL10547262 0.81 ALDH1A1 (0.49) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL1697511 0.80 ALDH1A1 (0.59) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL3935093 0.79 ALDH1A1 (0.58) ALDH1A1CTSDKMT2ATDP1MAPT
Water SCHEMBL28574745 0.79 ALDH1A1 (0.58) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL7338841 0.76 MAPT (0.58) ALDH1A1CTSDMEN1KMT2ATDP1
SCHEMBL12112443 0.76 ALDH1A1 (0.54) ALDH1A1CTSDTDP1MAPTLMNA
SCHEMBL7338837 0.76 MAPT (0.58) ALDH1A1CTSDMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231492-C Solution phase synthesis of oligonucleotides EFSSIA LTD (GB) 2005-12-14 — — CN disclosed
CN-1409719-A Process for preparing phosphorothioate triesters and oligonucleotides AVECIA LTD (GB) 2003-04-09 — — CN disclosed
CN-1274361-A Solution phase synthesis of oligonucleotides EFSSIA LTD (GB) 2000-11-22 — — CN disclosed
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