SCHEMBL5593368

SCHEMBL5593368

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(C2=CCON2Cc2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
BRAF P15056 2/20 0.42
LRRK2 Q5S007 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CREBBP Q92793 1/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.39
SRPK3 Q9UPE1 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4417398 0.81 TEK (0.54) BRAFMEN1KMT2ANPC1RAB9A
SCHEMBL5593418 0.80 L3MBTL1 (0.44) GAABRAFMEN1KMT2ASMN1; SMN2
SCHEMBL4419761 0.78 CYP1A2 (0.49) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4410927 0.77 CYP1A2 (0.51) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5593371 0.77 MAPT (0.42) GAAMAPTBRAFLRRK2MEN1
SCHEMBL4407658 0.77 NPC1 (0.42) GAABRAFLRRK2MEN1KMT2A
SCHEMBL14473258 0.77 CYP1A2 (0.48) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4417707 0.73 CYP3A4 (0.43) GAAMAPTBRAFMEN1KMT2A
SCHEMBL5592958 0.72 MAPK14 (0.54) BRAFSMN1; SMN2CYP3A4
SCHEMBL4016214 0.70 TEK (0.51) GAAMEN1KMT2ACYP3A4CYP2C19

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed