SCHEMBL7871444

SCHEMBL7871444

Nc1ccc(C(=O)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.51
SRD5A2 P31213 3/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PDK2 Q15119 1/20 0.46
GAA P10253 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 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
SCHEMBL3198016 0.91 AR (0.43) SRD5A2MAPTMAPK1HTTLMNA
SCHEMBL30469486 0.91 AR (0.43) SRD5A2MAPTMAPK1HTTLMNA
SCHEMBL7190381 0.88 PTGS1 (0.41) PBRM1SRD5A2MAPTMAPK1HTT
SCHEMBL7188882 0.87 PBRM1 (0.57) PBRM1SRD5A2MAPTMAPK1HTT
SCHEMBL29518166 0.82 CDC25B (0.50) SRD5A2MAPTHTTLMNAL3MBTL1
SCHEMBL498590 0.82 CDC25B (0.50) SRD5A2MAPTHTTLMNAL3MBTL1
SCHEMBL3658939 0.81 VNN1 (0.60) SRD5A2ATMTDP1L3MBTL1ALDH1A1
SCHEMBL11735726 0.81 MEN1 (0.61) PBRM1SRD5A2MAPTHTTLMNA
SCHEMBL23388266 0.80 VCAM1 (0.53) SRD5A2MAPTHTTLMNAATM
SCHEMBL27497828 0.80 MAPK13 (0.59) PBRM1SRD5A2MAPTMAPK1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102126994-B Benzophenone hydrazone derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2014-07-09 CN disclosed
CN-102126994-A Benzophenone hydrazone derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2011-07-20 CN disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed