SCHEMBL9044930

SCHEMBL9044930

Cn1c(=O)c2nc(C=NO)cn2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
NR1H3 Q13133 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.33
CYP2C9 P11712 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8552970 0.76 SRC (0.35) PGRNR1H3RORARORCRORB
SCHEMBL9041732 0.72 GRIN1 (0.38) RORARORCRORBKDM4EUSP2
SCHEMBL9041875 0.71 PDE2A (0.34)
SCHEMBL10732848 0.68 GABRA5 (0.45) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL9044264 0.65 GABRA5 (0.45) KDM4ELMNAALDH1A1MAPTBRD9
SCHEMBL10745368 0.63 CYP1A2 (0.40) PGRNR1H3RORARORCRORB
SCHEMBL30530475 0.62 MEN1 (0.43) PGRNR1H3KDM4ELMNAKIF11
SCHEMBL29261071 0.62 MEN1 (0.43) PGRNR1H3KDM4ELMNAKIF11
SCHEMBL28285676 0.62 KDM4E (0.55) KDM4EALDH1A1KIF11
SCHEMBL11086547 0.61 GABRA5 (0.49) KDM4ELMNAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691970-A1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022865-A1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed