SCHEMBL8777039

SCHEMBL8777039

COc1ccc(-c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 6/20 0.53
▸ NR1H2 P55055 3/20 0.53
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TYMS P04818 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRM1 Q13255 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42

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
SCHEMBL8777038 0.80 HSP90AA1 (0.50) NR1H3NR1H2KDM4EMAPK1L3MBTL1
SCHEMBL6156837 0.74 SCN2A (0.57) NR1H3NR1H2MEN1KMT2ASCN2A
SCHEMBL7689616 0.74 NR1H3 (0.71) NR1H3NR1H2MEN1KMT2A
SCHEMBL17059033 0.74 KMT2A (0.56) NR1H3NR1H2MEN1KMT2AKDM4E
SCHEMBL17950974 0.74 KMT2A (0.60) NR1H3MEN1KMT2AKDM4E
SCHEMBL30758650 0.72 KMT2A (0.76) NR1H3NR1H2MEN1KMT2ASCN2A
SCHEMBL29168849 0.72 KMT2A (0.76) NR1H3NR1H2MEN1KMT2ASCN2A
SCHEMBL5465021 0.72 KIT (0.60) MEN1KMT2AKDM4EL3MBTL1ADORA3
SCHEMBL6679321 0.72 KMT2A (0.54) NR1H3NR1H2MEN1KMT2ASCN2A
SCHEMBL6676139 0.72 MEN1 (0.68) NR1H3NR1H2MEN1KMT2AMAPK1

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-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 — — EP disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS — 1996-09-26 — — WO disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 — — WO disclosed
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