SCHEMBL7990192

SCHEMBL7990192

COc1ccccc1Oc1c(C(N)=O)nc(N2CCOCC2)nc1C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
EDNRB P24530 11/20 0.36
EDNRA P25101 11/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PIK3CB P42338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
AGER Q15109 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7979453 0.81 PIK3CA (0.35) PIK3CAMTOREDNRBEDNRALMNA
SCHEMBL6586303 0.77 HTT (0.43) PIK3CAAKT1MTOREDNRBEDNRA
SCHEMBL4068802 0.73 DHPS (0.50) EDNRBEDNRA
SCHEMBL7841637 0.70 EDNRB (0.54) EDNRBEDNRA
SCHEMBL5633057 0.69 MAPT (0.49) PIK3CAAKT1MTOREDNRBEDNRA
SCHEMBL5653603 0.68 EDNRB (0.65) EDNRBEDNRA
SCHEMBL5631503 0.67 MAPT (0.49) PIK3CAAKT1MTORLMNAHSD17B10
SCHEMBL5764886 0.66 EDNRB (0.53) EDNRBEDNRA
SCHEMBL4065446 0.65 PIK3CA (0.51) PIK3CALMNAHSD17B10POLBHTT
SCHEMBL6586305 0.64 DHPS (0.55) PIK3CAAKT1MTORLMNAHSD17B10

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-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed