SCHEMBL30072605

SCHEMBL30072605

Cc1ccnc(OC2CCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
LRRK2 Q5S007 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
UHRF1 Q96T88 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
CRHR1 P34998 3/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
MEN1 O00255 1/20 0.39
NOS3 P29474 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
SCHEMBL17303577 1.00 LOX (0.55) LOXLOXL2LRRK2KDM4EALDH1A1
SCHEMBL6890599 0.96 LOX (0.59) LOXLOXL2LRRK2KDM4EALDH1A1
SCHEMBL16453455 0.94 LOX (0.53) LOXLOXL2LRRK2KDM4EALDH1A1
SCHEMBL15829858 0.86 SYK (0.48) LOXLOXL2LRRK2HCRTR1HCRTR2
SCHEMBL8277607 0.86 HDAC6 (0.50) LOXLOXL2LRRK2HCRTR1HCRTR2
SCHEMBL427767 0.85 LRRK2 (0.48) LOXLOXL2LRRK2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5335017 0.85 SYK (0.47) LOXLOXL2HCRTR1HCRTR2AXL
SCHEMBL631617 0.85 LOX (0.46) LOXLOXL2LRRK2KDM4EALDH1A1
SCHEMBL15651656 0.84 LOX (0.58) LOXLOXL2LRRK2PDGFRBPDGFRA
SCHEMBL20909924 0.82 LOX (0.42) LOXLOXL2LRRK2KDM4EALDH1A1

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
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed