SCHEMBL9404529

SCHEMBL9404529

FC(F)(F)c1cccc2nc(Cl)nc(N3CCOCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.51
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 3/20 0.42
CNR2 P34972 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL9404322 0.85 POLB (0.41) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL9404233 0.85 HRH4 (0.51) CYP1A2CYP3A4TSHRCYP2C19USP2
SCHEMBL9404448 0.83 POLB (0.50) POLBSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL7326820 0.82 POLB (0.53) POLBSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL9404425 0.80 POLB (0.50) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL9404282 0.80 POLB (0.50) TSHRPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9404295 0.80 KDM4E (0.48) POLBSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL4792395 0.75 ALDH1A1 (0.55) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL4095134 0.74 KDM4E (0.69) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL30615144 0.73 RXFP1 (0.38) CYP1A2CYP2C19CLK4USP2CYP2D6

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
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed