SCHEMBL723332

SCHEMBL723332

CNC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 1/20 0.61
KMO O15229 1/20 0.60
CRBN Q96SW2 1/20 0.58
GRM5 P41594 1/20 0.56
CDK8 P49336 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
KAT6A Q92794 1/20 0.55
PDK2 Q15119 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
NR1H4 Q96RI1 2/20 0.54
EPHX2 P34913 1/20 0.54
F2R P25116 1/20 0.52
BAZ2B Q9UIF8 1/20 0.51

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
SCHEMBL13702375 0.94 HDAC8 (0.68) HDAC8HDAC6KMOCRBNGRM5
SCHEMBL9056834 0.91 CRBN (0.61) HDAC8HDAC6CRBNCDK8HDAC2
Trifluoroacetic Acid SCHEMBL1785129 0.90 HDAC8 (0.58) HDAC8HDAC6KMOCRBNGRM5
SCHEMBL12168604 0.90 EPHX2 (0.60) HDAC8HDAC6KMOCRBNCDK8
SCHEMBL15638622 0.87 MEN1 (0.62) HDAC8HDAC6CRBNCDK8PDK2
SCHEMBL14210412 0.87 CRBN (0.58) HDAC8HDAC6CRBNGRM5CDK8
SCHEMBL3037788 0.87 HDAC8 (0.82) HDAC8HDAC6CRBNCDK8HDAC1
SCHEMBL5943959 0.84 HDAC6 (0.72) HDAC8HDAC6CRBNCDK8HDAC1
SCHEMBL3617485 0.84 CRBN (0.56) HDAC8HDAC6CRBNCDK8PDK2
SCHEMBL5909363 0.83 HDAC8 (0.83) HDAC8HDAC6CDK8HDAC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN claimed
CN-110072850-B 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2023-07-21 CN claimed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP claimed
CN-108883122-A C-glycoside compounds useful for the treatment of diseases 菲姆布里昂医疗公司 2018-11-23 CN claimed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN disclosed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
CN-108883122-A C-glycoside compounds useful for the treatment of diseases 菲姆布里昂医疗公司 2018-11-23 CN disclosed
EP-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 EP disclosed
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
WO-2011075747-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-06-23 WO disclosed
EP-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO disclosed
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed