SCHEMBL10494591

SCHEMBL10494591

Nc1cccc(C(F)(F)F)c1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 4/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 2/20 0.35
MPL P40238 2/20 0.35
CUL4A Q13619 1/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PNMT P11086 1/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL6759273 0.86 CYP3A4 (0.35) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1815828 0.83 ALDH1A1 (0.39) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6759246 0.83 CYP3A4 (0.32) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL1813604 0.80 ALDH1A1 (0.38) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1813351 0.80 ALDH1A1 (0.38) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6754015 0.77 CYP3A4 (0.39) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL476347 0.76 CD44 (0.42) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL29589903 0.76 CD44 (0.42) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL70554 0.75 ALDH1A1 (0.48) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL8994564 0.75 ALDH1A1 (0.48) POLBTDP1ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001949-B1 LUBRICANT COMPOSITIONS THAT CONTAIN PHOSPHORUS AND NITROGEN OROGIL (FR) 1981-07-29 EP claimed
US-4224171-A Novel lubricant additives containing phosphorus and nitrogen and lubricant compositions containing them OROGIL (FR) 1980-09-23 US claimed
EP-0001949-A1 Lubricant compositions that contain phosphorus and nitrogen OROGIL (FR) 1979-05-16 EP claimed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
US-4798905-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
EP-0162366-B1 SULPHENYL CARBAMATES, PREPARATION AND USE BAYER AG (DE) 1988-06-22 EP disclosed
US-4562208-A FUNGICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
EP-0162366-A2 Sulphenyl carbamates, preparation and use BAYER AG (DE) 1985-11-27 EP disclosed
EP-0087704-B1 N-SULFENYLATED UREAS, PROCESS FOR THEIR PREPARATION, MICROBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE BAYER AG (DE) 1985-10-02 EP disclosed
EP-0071791-B1 TRICHLOROMETHYLTHIOBENZYL HALIDES AND PROCESS FOR PREPARARING META OR PARA TRICHLOROMETHYLTHIOBENZYL HALIDES BASF Aktiengesellschaft (DE) 1985-05-08 EP disclosed
US-4397869-A Combating fungi with N-sulphenylated ureas BAYER AKTIENGESELLSCHAFT (DE) 1983-08-09 US disclosed
EP-0071791-A1 Trichloromethylthiobenzyl halides and process for prepararing meta or para trichloromethylthiobenzyl halides BASF Aktiengesellschaft (DE) 1983-02-16 EP disclosed
EP-0046557-A1 N-sulfenyl ureas, preparation, fungicidal compositions and use thereof BAYER AG (DE) 1982-03-03 EP disclosed
EP-0001949-B1 LUBRICANT COMPOSITIONS THAT CONTAIN PHOSPHORUS AND NITROGEN OROGIL (FR) 1981-07-29 EP disclosed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 EP disclosed
US-4224171-A Novel lubricant additives containing phosphorus and nitrogen and lubricant compositions containing them OROGIL (FR) 1980-09-23 US disclosed
EP-0001949-A1 Lubricant compositions that contain phosphorus and nitrogen OROGIL (FR) 1979-05-16 EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP 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