SCHEMBL8694091

SCHEMBL8694091

CCOC(=O)C=C(N)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8694090 1.00 MEN1 (0.44) MEN1KMT2AMAPK1LMNANPSR1
SCHEMBL5643255 0.85 TDP1 (0.45) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL8949906 0.84 MAPT (0.47) MEN1KMT2AMAPK1NPSR1MAPT
SCHEMBL8949899 0.84 MAPT (0.47) MEN1KMT2AMAPK1NPSR1MAPT
SCHEMBL1699439 0.83 KMT2A (0.45) MEN1KMT2AMAPK1LMNANPSR1
SCHEMBL1699438 0.83 KMT2A (0.45) MEN1KMT2AMAPK1LMNANPSR1
SCHEMBL17168992 0.82 CYP19A1 (0.42) KMT2ALMNANPSR1MAPTL3MBTL1
SCHEMBL1699673 0.79 KMT2A (0.42) MEN1KMT2AMAPK1LMNANPSR1
SCHEMBL1699672 0.79 KMT2A (0.42) MEN1KMT2AMAPK1LMNANPSR1
SCHEMBL1144241 0.78 MAPT (0.46) MEN1KMT2AMAPK1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843884-B Imidazopyrazinones, pyrazolopyrimidinones and pyrazolopyridinones as PDE1 inhibitors H.隆德贝克有限公司 2022-03-04 CN disclosed
US-5712296-A Substituted pyridines and 2-oxo-1,2-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1998-01-27 US disclosed
US-5492923-A DRUG FOR TREATING ARTERIAL HYPERTENSION AND ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed
EP-0623610-A1 Substituted pyridines and 2-oxo-1,2-dihydropyridines as Angiotensine II antagonists BAYER AG (DE) 1994-11-09 EP disclosed