SCHEMBL29898505

SCHEMBL29898505

N#Cc1ccc(Cl)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.50
IDO1 P14902 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
ACACB O00763 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
SLC22A12 Q96S37 3/20 0.40
AR P10275 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
GRM4 Q14833 1/20 0.38
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A4 P31645 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3838602 1.00 VCAM1 (0.50) VCAM1IDO1TRPV4ACACBPTGDR2
SCHEMBL16960781 0.85 VCAM1 (0.46) VCAM1IDO1TRPV4ACACBPTGDR2
SCHEMBL16955486 0.85 VCAM1 (0.46) VCAM1IDO1TRPV4ACACBPTGDR2
SCHEMBL1794400 0.85 VCAM1 (0.46) VCAM1IDO1TRPV4ACACBPTGDR2
SCHEMBL2947436 0.81 TRPV4 (0.59) VCAM1IDO1TRPV4IMPDH2IMPDH1
SCHEMBL28773621 0.80 VCAM1 (0.46) VCAM1TRPV4PTGDR2IMPDH2IMPDH1
SCHEMBL825866 0.80 VCAM1 (0.53) VCAM1ARMAOAMAOBCA2
SCHEMBL104941 0.78 VCAM1 (0.52) VCAM1IDO1TRPV4SLC22A12MAOA
SCHEMBL30488974 0.77 IMPDH2 (0.45) TRPV4IMPDH2IMPDH1MAOAMAOB
SCHEMBL818327 0.77 IMPDH2 (0.45) TRPV4IMPDH2IMPDH1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118574903-A High performance thermosetting resins for 3D printing 诺佳3D创新有限公司 2024-08-30 CN claimed
CN-118574903-A High performance thermosetting resins for 3D printing 诺佳3D创新有限公司 2024-08-30 CN disclosed
CN-112955302-B Method for manufacturing a laminate with partial curing 斯特拉塔西斯公司 2023-05-02 CN disclosed
CN-115943062-A Dual cure additive manufacturing resin for producing flame retardant objects 卡本有限公司 2023-04-07 CN disclosed
CN-112930257-B Three-dimensional inkjet printing of thermally stable objects 斯特拉塔西斯公司 2023-03-24 CN disclosed
CN-109563287-B Benzothiazoles as latent catalysts for benzoxazine resins 亨斯迈先进材料美国有限责任公司 2022-09-09 CN disclosed