SCHEMBL2093540

SCHEMBL2093540

Cc1cc(C)c(NC=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 12/20 0.52
ALDH1A1 P00352 1/20 0.43
FFAR4 Q5NUL3 4/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 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
SCHEMBL10063862 0.85 ERN1 (0.47) RAPGEF4ALDH1A1FFAR4LMNAKMT2A
SCHEMBL28156106 0.84 TPMT (0.50) RAPGEF4ALDH1A1FFAR4LMNAKMT2A
SCHEMBL8716465 0.81 CYP3A4 (0.46) RAPGEF4ALDH1A1LMNAKMT2A
SCHEMBL7531476 0.81 ALDH1A1 (0.39) RAPGEF4ALDH1A1
SCHEMBL10501503 0.81 ALDH1A1 (0.36) RAPGEF4ALDH1A1
SCHEMBL16520251 0.81 HMGB1 (0.38) RAPGEF4ALDH1A1
SCHEMBL14858798 0.80 ALDH1A1 (0.56) RAPGEF4ALDH1A1LMNAKMT2A
SCHEMBL12176175 0.79 RAPGEF4 (0.57) RAPGEF4ALDH1A1FFAR4
SCHEMBL20125107 0.79 FFAR4 (0.42) RAPGEF4ALDH1A1FFAR4LMNAKMT2A
SCHEMBL10500612 0.78 FFAR4 (0.47) RAPGEF4ALDH1A1FFAR4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698697-A A kind of triazole of claw type 1,4 connects cyclodextrin molecular and preparation method and application more 昆明理工大学 2018-02-16 CN claimed
CN-104189951-B A kind of injection quickly forms liquid formulation of micro-molecular hydrogel in situ and its preparation method and application 赣南师范学院 2017-06-30 CN claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
CN-109456216-A A kind of no catalyst is reacted without aromatic amine under the conditions of promotor with the amine that turns of amide derivatives 湘潭大学 2019-03-12 CN disclosed
CN-104189951-B A kind of injection quickly forms liquid formulation of micro-molecular hydrogel in situ and its preparation method and application 赣南师范学院 2017-06-30 CN disclosed
CN-104189951-B A kind of injection quickly forms liquid formulation of micro-molecular hydrogel in situ and its preparation method and application 赣南师范学院 2017-06-30 CN disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
CN-103180332-A N-heterocyclic carbene complexes, preparation and application thereof BASF SE 2013-06-26 CN disclosed
US-8455252-B2 Materials and methods for sensitizing multidrug resistant cells INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2013-06-04 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 WO disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US disclosed