SCHEMBL13286161

SCHEMBL13286161

CC(C)(C)OC(=O)NC(Cc1ccc2c(c1)OCCO2)CN(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
ATM Q13315 1/20 0.34
AAK1 Q2M2I8 4/20 0.33
BACE1 P56817 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
FPR3 P25089 2/20 0.32
FPR2 P25090 2/20 0.32
FPR1 P21462 1/20 0.32
ACACB O00763 1/20 0.32
MAPK8 P45983 1/20 0.32
TACR1 P25103 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1743885 1.00 HDAC1 (0.35) HDAC1ATMAAK1BACE1CYP1A2
SCHEMBL2547509 0.93 ATM (0.36) HDAC1ATMAAK1BACE1CYP1A2
SCHEMBL2547505 0.93 ATM (0.36) HDAC1ATMAAK1BACE1CYP1A2
SCHEMBL2550412 0.87 MLYCD (0.39) ATMAAK1FPR3FPR2
SCHEMBL13286149 0.84 ATM (0.36) ATMAAK1FPR3FPR2
SCHEMBL4303581 0.83 PPARG (0.39) ATMAAK1
SCHEMBL2550327 0.83 ATM (0.38) ATMAAK1
SCHEMBL2550321 0.83 ATM (0.38) ATMAAK1
SCHEMBL4303579 0.83 PPARG (0.39) ATMAAK1
SCHEMBL13286102 0.83 DYRK1A (0.34) HDAC1CYP1A2CYP2D6SMN1; SMN2

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-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed