SCHEMBL8317675

SCHEMBL8317675

COCCCN(CC(=O)OC)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SNCA P37840 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 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
SCHEMBL8316701 0.91 HCAR3 (0.40) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL8313561 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL31042134 0.80 ATM (0.43) ALDH1A1L3MBTL1MAPTKDM4EATM
SCHEMBL8319186 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTATMTDP1
SCHEMBL10687975 0.71 ATM (0.53) ALDH1A1L3MBTL1MAPTKDM4EATM
SCHEMBL29676432 0.71 ATM (0.41) ALDH1A1L3MBTL1MAPTATMTDP1
SCHEMBL28575301 0.71 ATM (0.41) ALDH1A1L3MBTL1MAPTATMTDP1
SCHEMBL1028874 0.69 PDGFRB (0.56) ALDH1A1L3MBTL1MAPTATMTDP1
SCHEMBL8263434 0.69 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EATMTDP1
SCHEMBL7745956 0.69 LMNA (0.57) ALDH1A1L3MBTL1MAPTATMTDP1

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 — — EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 — — US disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 — — CN disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 — — EP disclosed
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