SCHEMBL6959842

SCHEMBL6959842

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 1/20 0.54
P4HB P07237 1/20 0.53
MAOA P21397 1/20 0.52
APP P05067 1/20 0.51
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL11865019 0.86 L3MBTL1 (0.61) MAOBMEN1KMT2ALMNAHSP90AA1
SCHEMBL11865031 0.86 L3MBTL1 (0.61) MAOBMEN1KMT2ALMNAHSP90AA1
SCHEMBL10747246 0.85 MEN1 (0.60) MAOBMEN1KMT2ALMNAHSP90AA1
SCHEMBL12677375 0.83 MAOB (0.64) MAOBMEN1KMT2ALMNAHSP90AA1
SCHEMBL6955898 0.82 NFE2L2 (0.50) MAOBMEN1KMT2ALMNAMAPT
SCHEMBL6954034 0.81 BACE1 (0.55) MAOBMEN1KMT2ALMNAMAPT
SCHEMBL6954978 0.79 BACE1 (0.68) MAOBMEN1KMT2ALMNAMAPT
SCHEMBL13684398 0.79 HTT (0.49) MAOBMEN1KMT2ALMNAHSP90AA1
SCHEMBL10666534 0.79 MAOB (0.59) MAOBLMNAMAPTMAOANR1H4
SCHEMBL6960590 0.79 CYP1A2 (0.59) MAOBMEN1KMT2ALMNAMAPT

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 31 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-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-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 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-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-3946028-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946027-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3943140-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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