SCHEMBL4783383

SCHEMBL4783383

COc1cc(CC(=O)Oc2ccc(C#N)c(NC3CCC(O)CC3)c2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCQ Q04759 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PRKCD Q05655 1/20 0.39
TP53 P04637 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CXCR6 O00574 1/20 0.37
MEN1 O00255 2/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 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
SCHEMBL4580567 0.78 PRKCQ (0.41) KMT2APRKCQMAPTPRKCDCXCR6
SCHEMBL4581544 0.78 PRKCQ (0.42) PRKCQMAPTPRKCDCXCR6
SCHEMBL4581014 0.77 PRKCQ (0.40) KMT2APRKCQMAPTPRKCDCXCR6
SCHEMBL4581125 0.76 SRC (0.41) KMT2APRKCQPRKCDCXCR6MEN1
SCHEMBL4580274 0.76 PRKCQ (0.38) SMN1; SMN2KMT2APRKCQNPC1RAB9A
SCHEMBL4580030 0.76 PRKCQ (0.38) KMT2APRKCQNPC1RAB9AMAPT
SCHEMBL4783392 0.75 PRKCQ (0.39) PRKCQNPC1RAB9AMAPTPRKCD
SCHEMBL4582342 0.73 TUBB4A (0.41) SMN1; SMN2KMT2ACXCR6TUBB4ATUBB
SCHEMBL4581296 0.71 TBK1 (0.42) SMN1; SMN2KMT2APRKCQMAPTPRKCD
SCHEMBL4579980 0.71 KDM4E (0.48) SMN1; SMN2CYP1A2CYP2C9MAPK1CYP2C19

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-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed