SCHEMBL3129369

SCHEMBL3129369

COC(=O)c1ccc(C=Nc2ccccc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.88
CA1 P00915 5/20 0.88
PTGS2 P35354 2/20 0.66
PTGS1 P23219 1/20 0.66
RAB9A P51151 3/20 0.63
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
TSHR P16473 1/20 0.56
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54

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
SCHEMBL3129364 1.00 CA2 (0.88) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL20219231 0.94 CA2 (1.00) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL10354505 0.94 CA2 (1.00) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL13934092 0.92 CA2 (0.88) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL11415325 0.91 CA2 (0.83) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL11415323 0.91 CA2 (0.83) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL10084155 0.86 CA2 (1.00) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL11414970 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL8930190 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1RAB9A
SCHEMBL13038180 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207559-B1 METHOD FOR COUPLING LIVING POLYMERS OBTAINED BY ANIONIC POLYMMERIZATION ENIRICERCHE S.p.A. (IT) 1990-09-26 EP claimed
US-4754005-A AROMATIC IMINES ENIRICERCHE S.P.A. (IT) 1988-06-28 US claimed
CN-115745808-B Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2024-04-30 CN disclosed
CN-115745808-A Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2023-03-07 CN disclosed
CN-109851544-B Preparation method of polysubstituted pyrrole compound 浙江师范大学 2020-09-01 CN disclosed
WO-2018185675-A1 SUBSTITUTED OXOAZETIDINE ANALOGUES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-10-11 WO disclosed
WO-2010035948-A1 NOVEL (1,3-BUTADIEN-2-YL)METHYLAMINE DERIVATIVES AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2010-04-01 WO disclosed
EP-0207559-B1 METHOD FOR COUPLING LIVING POLYMERS OBTAINED BY ANIONIC POLYMMERIZATION ENIRICERCHE S.p.A. (IT) 1990-09-26 EP disclosed
US-4754005-A AROMATIC IMINES ENIRICERCHE S.P.A. (IT) 1988-06-28 US disclosed
US-4200648-A INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE WILLIAM H. RORER, INC. (US) 1980-04-29 US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed