SCHEMBL8313561

SCHEMBL8313561

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ PKM P14618 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NR1D1 P20393 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL8317675 0.87 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2MAPTKDM4E
SCHEMBL8316701 0.80 HCAR3 (0.40) ALDH1A1L3MBTL1SMN1; SMN2MAPTKDM4E
SCHEMBL10533223 0.70 NR1D1 (0.51) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL19928784 0.70 HPGD (0.41) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL4993348 0.69 PDGFRB (0.56) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL8264268 0.69 S1PR4 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL741469 0.69 MAPT (0.70) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL9272500 0.68 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL4659391 0.68 MAPT (0.48) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT
SCHEMBL5102019 0.68 NOS3 (0.49) ALDH1A1PKML3MBTL1SMN1; SMN2MAPT

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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