SCHEMBL8316701

SCHEMBL8316701

COCCCN(CC(=O)OC)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDO1 P14902 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.36

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
SCHEMBL8317675 0.91 ALDH1A1 (0.42) HCAR3L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL8313561 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL1135887 0.74 HCAR3 (0.47) HCAR3L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL31042134 0.72 ATM (0.43) L3MBTL1ALDH1A1KMT2AHTTMEN1
SCHEMBL8341967 0.71 ALDH1A1 (0.50) HCAR3L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL9463826 0.71 HCAR3 (0.59) HCAR3ALDH1A1KMT2AHTTMEN1
SCHEMBL8319186 0.70 ALDH1A1 (0.40) L3MBTL1ALDH1A1KMT2AHTTMEN1
SCHEMBL7654856 0.70 TDP1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL27719772 0.69 PDGFRB (0.56) L3MBTL1ALDH1A1KMT2AMEN1NPC1
SCHEMBL29676432 0.68 ATM (0.41) L3MBTL1ALDH1A1KMT2AHTTMEN1

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
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
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 — — EP disclosed
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