SCHEMBL7034532

SCHEMBL7034532

C=CCn1c(-c2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
HTT P42858 5/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 3/20 0.53
ADORA2B P29275 2/20 0.53
LMNA P02545 5/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GPR18 Q14330 1/20 0.46

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
SCHEMBL7034529 0.81 ADORA2B (0.55) POLBNCOA1NCOA3HTTUSP2
SCHEMBL7039451 0.74 ADORA2B (0.86) POLBHTTUSP2ALDH1A1ADORA2B
SCHEMBL16028050 0.72 TRPC4 (0.52) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL5718940 0.71 USP2 (0.72) POLBNCOA1NCOA3HTTUSP2
SCHEMBL16076079 0.70 TRPC4 (0.52) HTTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5411870 0.69 ADORA2B (1.00) POLBALDH1A1ADORA2BSMN1; SMN2HSD17B10
SCHEMBL13977076 0.67 POLB (0.80) POLBNCOA1NCOA3HTTUSP2
SCHEMBL19666778 0.67 ALDH1A1 (0.68) POLBNCOA1NCOA3HTTALDH1A1
SCHEMBL16029530 0.66 SMN1; SMN2 (0.56) POLBHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL5639709 0.65 DPP4 (0.74) HTTUSP2ALDH1A1LMNAMAPK1

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
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 EP claimed