SCHEMBL588928

SCHEMBL588928

CCS(=O)(=O)c1ccc(OC)c(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MMP1 P03956 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
F2 P00734 3/20 0.58
PRSS1 P07477 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL3791844 0.86 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL11310780 0.86 MAPT (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL11574192 0.85 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11331446 0.85 CA2 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL3423928 0.83 CA2 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL9306552 0.83 MMP8 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL10670385 0.83 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL3786451 0.83 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL20892712 0.83 MAPK1 (0.68) LMNAHTTPOLBMEN1KMT2A
SCHEMBL11122253 0.83 POLB (0.68) CA1CA2MMP1MMP2MMP9

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
CN-104829542-A Aniline pyrimidine compound, preparation method and medicinal application thereof SHANGHAI INST MATERIA MEDICA 2015-08-12 CN disclosed
EP-2727909-A1 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-07 EP disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 EP disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 EP disclosed
CN-103588704-A Inhibitors of focal adhesion kinase SCRIPPS RESEARCH INST 2014-02-19 CN disclosed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4224025-A Process for the dyeing and printing of paper materials in different hues using a single coupling component CIBA-GEIGY CORPORATION (US) 1980-09-23 US disclosed
EP-0008627-A2 Quinazoline derivatives, azo dyes derived from the quinazolines and their use as pigments BAYER AG (DE) 1980-03-19 EP disclosed
US-4168952-A ACETOACETIC ACID ARYLAMIDE AS COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-09-25 US disclosed
US-4165967-A HYDROXY-PYRIDINE OR PYRIDONE COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-08-28 US disclosed
US-4162893-A Process for dyeing human hair with diazo salts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-07-31 US disclosed
US-4065254-A DIAZO DYES, LEATHER, COTTON, WOOL CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US disclosed