SCHEMBL8134255

SCHEMBL8134255

COc1cc(C)nc(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
KMT2A Q03164 1/20 0.70
ATM Q13315 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
LMNA P02545 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.51
HTT P42858 1/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL27517425 0.88 NPC1 (0.55) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL10966645 0.85 MAPT (0.51) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL13996081 0.85 ALDH1A1 (0.51) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL8854898 0.84 MEN1 (0.51) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL7913550 0.82 LMNA (0.73) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL8143320 0.80 LMNA (0.61) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL11013258 0.80 ADORA2A (0.59) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL3304516 0.80 MEN1 (0.48) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL14988002 0.80 MAPK1 (0.88) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL10965468 0.80 ALDH1A1 (0.59) MEN1CYP1A2MAPTCYP2C9HPGD

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-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed