SCHEMBL22360845

SCHEMBL22360845

CC(C)OCc1ccc(-c2cn(C)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHB4 P54760 3/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
DPP4 P27487 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
IDH1 O75874 1/20 0.36
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
PTGS2 P35354 1/20 0.36
ESRRG P62508 1/20 0.35

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
SCHEMBL22360791 0.84 LRRK2 (0.39) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22360849 0.84 MEN1 (0.38) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22360898 0.80 MEN1 (0.36) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22185240 0.77 NPC1 (0.46) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL17091027 0.76 EPHB4 (0.43) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL17201333 0.76 EPHB4 (0.43) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL21873515 0.76 EPHB4 (0.46) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL15729597 0.76 HRH3 (0.45) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL1337524 0.74 IDO1 (0.41)
SCHEMBL23329321 0.74 ESRRG (0.46) NPC1RAB9AL3MBTL1IDH1ESRRG

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-2020168172-A1 CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-08-20 WO disclosed