SCHEMBL5593371

SCHEMBL5593371

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(C2C=CON2Cc2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LRRK2 Q5S007 4/20 0.41
GAA P10253 1/20 0.41
BRAF P15056 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
LMNA P02545 2/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5593421 0.80 L3MBTL1 (0.43) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5593368 0.77 GAA (0.43) MAPTLRRK2GAABRAFSMN1; SMN2
SCHEMBL4419761 0.73 CYP1A2 (0.49) MAPTGAASMN1; SMN2HTTL3MBTL1
SCHEMBL4410927 0.72 CYP1A2 (0.51) MAPTGAASMN1; SMN2HTTL3MBTL1
SCHEMBL4407658 0.71 NPC1 (0.42) LRRK2GAABRAFL3MBTL1CYP1A2
SCHEMBL14473258 0.70 CYP1A2 (0.48) MAPTGAASMN1; SMN2HTTL3MBTL1
SCHEMBL4016214 0.70 TEK (0.51) GAACYP3A4MEN1KMT2AABL1
SCHEMBL4013698 0.69 ABL1 (0.53) BRAFCYP3A4MEN1KMT2AABL1
SCHEMBL4417888 0.68 CYP1A2 (0.65) MAPTSMN1; SMN2HTTL3MBTL1CYP1A2
SCHEMBL4417707 0.68 CYP3A4 (0.43) MAPTGAABRAFSMN1; SMN2HTT

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