SCHEMBL9705021

SCHEMBL9705021

CCOC(=O)C1Nc2cc(F)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PGR P06401 1/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP2 O95551 1/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2776008 0.95 KDM4E (0.42) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL9705704 0.85 KDM4E (0.42) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL9704850 0.84 MAPK1 (0.44) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL9704892 0.84 MAPT (0.46) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL6380660 0.81 KDM4E (0.39) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL11260228 0.80 KDM4E (0.42) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL21639560 0.79 PGR (0.37) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL9704329 0.79 MAPK1 (0.44) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL28890594 0.75 TDP2 (0.50) KDM4ETP53MEN1CYP1A2CYP2D6
SCHEMBL29958253 0.75 TDP2 (0.50) KDM4ETP53MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed