SCHEMBL8260978

SCHEMBL8260978

COc1cc2ccnc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)c2cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
PKM P14618 3/20 0.45
HSP90AA1 P07900 2/20 0.45
PAX8 Q06710 1/20 0.45
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
POLB P06746 1/20 0.41
KLF5 Q13887 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FGFR3 P22607 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
HPGDS O60760 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL1201299 0.94 NPC1 (0.47) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201440 0.82 RAB9A (0.43) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201114 0.80 RAB9A (0.48) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202361 0.80 RAB9A (0.47) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201596 0.79 RAB9A (0.46) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201851 0.79 RAB9A (0.52) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201542 0.76 HPGDS (0.47) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202185 0.76 RAB9A (0.43) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202055 0.75 RAB9A (0.50) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201719 0.75 NPC1 (0.40) RAB9ANPC1PKMHSP90AA1PAX8

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-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed