SCHEMBL167598

SCHEMBL167598

NC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
GRIN1 Q05586 1/20 0.60
GRIN2A Q12879 1/20 0.60
GRIN2B Q13224 1/20 0.60
GRIN2C Q14957 1/20 0.60
GRIN3A Q8TCU5 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
POLB P06746 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL29958946 1.00 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trifluoroacetic Acid SCHEMBL7525892 0.93 CHIT1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Carbamic Acid SCHEMBL1013202 0.87 POLB (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30140772 0.87 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2755849 0.85 CA12 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30499689 0.85 CA12 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4094802 0.85 KDM4E (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2092532 0.84 POLB (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3938038 0.84 POLB (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1008398 0.84 POLB (0.63) POLBMEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103221388-A Novel sulfonamide compounds for inhibition of metastatic tumor growth METASIGNAL THERAPEUTICS INC 2013-07-24 CN claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO claimed
JP-4810427-B2 2011-11-09 JP claimed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
CN-1678573-A Diaryl urea derivatives and their use as chlorine channel blockers NEUROSEARCH AS (DK) 2005-10-05 CN claimed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
WO-2001064036-A1 ENHANCEMENT OF SEED/FRUIT/NUT YIELDS FROM FLOWERING PLANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-09-07 WO claimed
CN-114605408-A 5-hydroxy-1, 3-disubstituted phenyl pyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-10 CN disclosed
CN-114276524-A Preparation method of high-molecular-weight degradable recyclable polyester containing double-bond side groups 青岛科技大学 2022-04-05 CN disclosed
EP-3846786-A1 PALATABLE ANTIPARASITIC FORMULATIONS Zoetis Services LLC (US) 2021-07-14 EP disclosed
CN-105658643-B IDO inhibitor 百时美施贵宝公司 2019-03-01 CN disclosed
WO-1998042191-A1 PROCESS AND MEANS FOR THE ERADICATION OF TICKS IN THE HABITATS OF SMALL MAMMALS MERIAL (FR) 1998-10-01 WO disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
US-4225618-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-3984468-A Herbicidal N-trifluoromethylmercaptophenyl ureas BAYER AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed