SCHEMBL6959846

SCHEMBL6959846

COC(=O)C(=Cc1cccc(C(F)(F)F)c1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLO1 Q04760 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
SCHEMBL6959838 1.00 GAA (0.47) GAATHRBL3MBTL1MAOBLMNA
SCHEMBL11865025 0.88 GLO1 (0.53) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL7273072 0.85 GLO1 (0.61) GAALMNAMAPTMEN1KMT2A
SCHEMBL15026404 0.85 GLO1 (0.61) GAALMNAMAPTMEN1KMT2A
SCHEMBL9478264 0.84 THRB (0.47) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL10747237 0.84 THRB (0.47) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL9478271 0.84 THRB (0.47) THRBL3MBTL1MAOBLMNAMAPT
SCHEMBL8880883 0.82 ALDH1A1 (0.46) GAAL3MBTL1MAOBNPSR1ALDH1A1
SCHEMBL8880889 0.82 ALDH1A1 (0.46) GAAL3MBTL1MAOBNPSR1ALDH1A1
SCHEMBL11729610 0.81 SMN1; SMN2 (0.43) GAAMAOBLMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed
US-4742069-A CALCIUM ANTAGONIST, ANTIANGINA, ANTIISCHEMIC, HYPOTENSIVE HOFFMANN-LA ROCHE INC. (US) 1988-05-03 US disclosed
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4022898-A ANTIHYPERTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4004015-A Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed