SCHEMBL19033

SCHEMBL19033

Cc1onc(-c2ccccc2C(F)(F)F)c1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
GPBAR1 Q8TDU6 4/20 0.61
KMT2A Q03164 2/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
EPAS1 Q99814 3/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
NLRP3 Q96P20 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL12544227 0.88 GPBAR1 (0.63) HSD17B10GPBAR1KMT2AGAAMEN1
SCHEMBL30395460 0.88 GPBAR1 (0.63) HSD17B10GPBAR1KMT2AGAAMEN1
SCHEMBL13733421 0.84 GPBAR1 (0.59) HSD17B10GPBAR1KMT2AMEN1L3MBTL1
SCHEMBL3822684 0.82 HSD17B10 (0.70) HSD17B10GPBAR1KMT2AGAAMEN1
SCHEMBL10928243 0.81 GPBAR1 (0.56) HSD17B10GPBAR1KMT2AMEN1L3MBTL1
SCHEMBL903109 0.79 HSD17B10 (1.00) HSD17B10GPBAR1KMT2AGAAMEN1
SCHEMBL10994826 0.78 GPBAR1 (0.53) GPBAR1KMT2AGAATSHREPAS1
SCHEMBL10999090 0.78 GPBAR1 (0.48) HSD17B10GPBAR1KMT2AGAAMEN1
SCHEMBL13732564 0.77 GPBAR1 (0.48) HSD17B10GPBAR1GAAL3MBTL1ALDH1A1
SCHEMBL27936766 0.76 GPBAR1 (0.54) HSD17B10GPBAR1KMT2AL3MBTL1EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568302-B Medicine compound for treating advanced liver cancer and application thereof 郑州大学第一附属医院 2021-07-16 CN disclosed
EP-3833669-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-06-16 EP disclosed
EP-3706747-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-16 EP disclosed
WO-2020033285-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 WO disclosed
EP-3525786-A1 KDM5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-08-21 EP disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
EP-2953470-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
EP-2770987-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
WO-2004004652-A2 MITOTIC KINESIN BINDING SITE MERCK & CO., INC. (US) 2004-01-15 WO disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed
WO-2003039460-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-05-15 WO disclosed
WO-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO disclosed
EP-1259235-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001062251-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed