SCHEMBL2231647

SCHEMBL2231647

O=C(NNc1ccccc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.58
▸ ALOX5 P09917 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALOX12 P18054 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PTGS2 P35354 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ F2 P00734 1/20 0.47
▸ PDK1 Q15118 2/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11685289 0.87 GAA (0.54) GAACYP3A4ALOX12KDM4EALDH1A1
SCHEMBL9547196 0.80 CA1 (0.41) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL15710366 0.80 GAA (0.53) GAAKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8930990 0.80 TRPV1 (0.47) GAAALOX12CYP2C19PTGS2ALDH1A1
SCHEMBL8476433 0.80 MAPT (0.45) GAAALOX12CYP2C19KDM4EALDH1A1
SCHEMBL11686391 0.80 MAOA (0.43) GAATSHRALOX12CYP2C19SMN1; SMN2
SCHEMBL6637261 0.79 GAA (0.62) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL474941 0.78 HDAC1 (0.65) TSHRALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL2199062 0.78 MAPT (0.56) GAAALOX12ALDH1A1SMN1; SMN2
SCHEMBL11685282 0.77 MAOA (0.41) GAATSHRALOX12CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285037-A2 ADHESIVE COMPOSITIONS FOR BONDING PASSIVE SUBSTRATES SUCH AS MAGNESIUM ALLOYS Henkel Loctite Corporation (US) 2003-02-26 — — EP claimed
WO-2001088050-A2 ADHESIVE COMPOSITIONS FOR BONDING PASSIVE SUBSTRATES SUCH AS MAGNESIUM ALLOYS HENKEL LOCTITE CORPORATION (US) 2001-11-22 — — WO claimed
CN-110526868-B Preparation method of celecoxib 迪嘉药业集团有限公司 2022-03-18 — — CN disclosed
EP-2343339-B1 ADHESIVE COMPOSITION AND ADHESION METHOD DENKA COMPANY LTD (JP) 2017-01-18 — — EP disclosed
EP-2194105-B1 ADHESIVE COMPOSITIONS AND JOINTING METHOD DENKI KAGAKU KOGYO KK (JP) 2013-05-08 — — EP disclosed
US-8323448-B2 Adhesive composition and bonding method DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-12-04 — — US disclosed
US-8273827-B2 Adhesive composition and adhesion method DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-09-25 — — US disclosed
US-20110190414-A1 ADHESIVE COMPOSITION AND ADHESION METHOD DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-08-04 — — US disclosed
EP-2343339-A1 ADHESIVE COMPOSITION AND ADHESION METHOD Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2011-07-13 — — EP disclosed
US-20100236716-A1 ADHESIVE COMPOSITION AND BONDING METHOD DENKI KAGAKU KOGYO KABUSHIKI KAISHA, (JP) 2010-09-23 — — US disclosed
EP-2194105-A1 ADHESIVE COMPOSITIONS AND JOINTING METHOD Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2010-06-09 — — EP disclosed
EP-0596983-B1 MONO- AND DIFLUOROACETYLPHENYL HYDRAZINE COMPOUNDS AS SILVER HALIDE ADJUVANTS DU PONT (US) 1995-11-02 — — EP disclosed
EP-0596983-A1 MONO- AND DIFLUOROACETYLPHENYL HYDRAZINE COMPOUNDS AS SILVER HALIDE ADJUVANTS. DU PONT (US) 1994-05-18 — — EP disclosed
EP-0580763-A1 COMPOSITIONS AND METHODS FOR ENDOTHELIAL BINDING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-02-02 — — EP disclosed
WO-1993003414-A1 MONO- AND DIFLUOROACETYLPHENYL HYDRAZINE COMPOUNDS AS SILVER HALIDE ADJUVANTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-18 — — WO disclosed
WO-1992018610-A2 COMPOSITIONS AND METHODS FOR ENDOTHELIAL BINDING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1992-10-29 — — WO disclosed
EP-0115469-B1 PYRAZOLO(3,4-D)PYRIDIN-3-ONES CONDENSED WITH A HETEROCYCLE CIBA-GEIGY AG (CH) 1987-05-20 — — EP disclosed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 — — EP disclosed
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 — — EP disclosed
US-4312870-A TRANQUILIZERS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1982-01-26 — — US disclosed
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