SCHEMBL7299122

SCHEMBL7299122

COc1cccn(C2=CC(C)(C)Oc3ncccc32)c1=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
DCTPP1 Q9H773 1/20 0.30
PRKCB P05771 2/20 0.30
GSK3B P49841 2/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7293093 0.87 PDE5A (0.36) KDM4ETDP1
SCHEMBL7348702 0.84 MEN1 (0.30) MAPT
SCHEMBL7292929 0.84 NPBWR1 (0.30)
SCHEMBL7298315 0.83 KDM4E (0.35) HSD11B1L3MBTL1KDM4EGAAPOLB
SCHEMBL7293398 0.81 KDM4E (0.35) L3MBTL1KDM4EMAPTPOLBTDP1
SCHEMBL7376892 0.81
SCHEMBL7301079 0.80 MET (0.35) HSD11B1MAPTPOLBTDP1
SCHEMBL7299641 0.80 HRH4 (0.33) POLB
SCHEMBL7290956 0.79 CYP1A2 (0.37) GAAMAPTGSK3B
SCHEMBL7299106 0.79 CCNC (0.39) GAA

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
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed