SCHEMBL9704892

SCHEMBL9704892

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9705021 0.84 KDM4E (0.42) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL9704850 0.81 MAPK1 (0.44) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL9705704 0.79 KDM4E (0.42) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL6603338 0.79 KDM4E (0.36) MAPTKDM4ETP53ALDH1A1POLB
SCHEMBL11260228 0.77 KDM4E (0.42) MAPTKDM4ETP53ALDH1A1POLB
SCHEMBL9704329 0.76 MAPK1 (0.44) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL6380660 0.75 KDM4E (0.39) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL27717563 0.72 ALDH1A1 (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL6605330 0.71 GRIA1 (0.47) MAPTKDM4ETP53POLBMEN1
SCHEMBL6376322 0.71 PDE4A (0.41) MAPTLMNAKDM4ETP53SMN1; SMN2

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