SCHEMBL9178564

SCHEMBL9178564

O=C1C(=O)N2CCOc3cc([N+](=O)[O-])cc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.38
CASP3 P42574 2/20 0.38
CASP4 P49662 2/20 0.38
CASP7 P55210 2/20 0.38
CASP9 P55211 2/20 0.38
CASP6 P55212 2/20 0.38
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
POLB P06746 1/20 0.34
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL19949919 0.77 POLB (0.42) CASP1CASP7MAPTMEN1NPC1
SCHEMBL9170732 0.76 CES1 (0.36) CASP1CASP7MAPTPIK3CDPIK3CA
SCHEMBL9172070 0.74 CES1 (0.56) CASP1CASP3CASP4CASP7CASP9
SCHEMBL9172178 0.74 CES1 (0.51) MAPTMEN1KMT2APOLBCES1
SCHEMBL9470659 0.73 CES1 (0.51) CASP1CASP3CASP4CASP7CASP9
SCHEMBL29876689 0.69 MEN1 (0.41) CASP6MAPTMEN1NPC1RAB9A
SCHEMBL16709616 0.68 ALDH1A1 (0.46) MAPTMEN1RAB9AKMT2APOLB
SCHEMBL14580057 0.68 ALDH1A1 (0.40) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2060402 0.68 ACHE (0.45) CASP1CASP3CASP4CASP7CASP9
SCHEMBL9501575 0.68 PIK3CD (0.49) CASP1CASP3CASP4CASP7CASP9

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-0310096-B1 Novel cyclic anthranilic acid derivatives and process for their preparation KYORIN SEIYAKU KK (JP) 1995-04-19 EP disclosed
US-5281600-A Antiinflammatory agents, rheumatic diseases and immunomodulators KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-01-25 US disclosed
US-5147874-A Antiarthritic agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-09-15 US disclosed
US-4956372-A ANTIRHEUMATOID AND IMMUNOMODULATORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed