SCHEMBL7979612

SCHEMBL7979612

Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)n1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
P2RX7 Q99572 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
SCHEMBL8140247 0.79 ESR1 (0.42) L3MBTL1GLA
SCHEMBL7994197 0.73 MAPT (0.38) ALDH1A1
SCHEMBL7991696 0.71
SCHEMBL7993538 0.69 L3MBTL1 (0.45) L3MBTL1ALDH1A1HPGDALOX15TSHR
SCHEMBL20267538 0.68 PPOX (0.47) L3MBTL1
SCHEMBL30537050 0.68 PPOX (0.47) L3MBTL1
SCHEMBL7955804 0.65 L3MBTL1 (0.39) L3MBTL1ALDH1A1HPGDALOX15TSHR
SCHEMBL7251901 0.64 L3MBTL1 (0.45) L3MBTL1TSHRHSD17B10GLA
SCHEMBL29238949 0.64 NAPRT (0.49) L3MBTL1ALDH1A1HPGDALOX15TSHR
SCHEMBL21011975 0.63 L3MBTL1 (0.42) L3MBTL1ALDH1A1HPGDALOX15TSHR

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-2001090102-A2 6-HETEROCYCLYL-3-OXO-3,4-DIHYDRO-QUINOXALINES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed