SCHEMBL31375482

SCHEMBL31375482

FC(F)(F)c1cc(-c2ccc(CBr)cc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.49
LOX P28300 1/20 0.47
NOTUM Q6P988 1/20 0.45
IDO1 P14902 1/20 0.45
USP1 O94782 3/20 0.43
WDR48 Q8TAF3 3/20 0.43
PDPK1 O15530 1/20 0.42
CYP3A4 P08684 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
MAP4K4 O95819 1/20 0.39
SYK P43405 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNQ2 O43526 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL17297896 0.83 LOXL2 (0.49) LOXL2LOXNOTUMIDO1USP1
SCHEMBL10259946 0.83 LOXL2 (0.67) LOXL2LOXNOTUMIDO1USP1
SCHEMBL17297769 0.81 LOXL2 (0.46) LOXL2LOXNOTUMIDO1USP1
SCHEMBL15859900 0.81 LOXL2 (0.46) LOXL2LOXNOTUMIDO1USP1
SCHEMBL16388355 0.80 LOXL2 (0.67) LOXL2LOXNOTUMIDO1MAP4K4
SCHEMBL30119999 0.80 LOXL2 (0.67) LOXL2LOXNOTUMIDO1MAP4K4
SCHEMBL17297765 0.80 AAK1 (0.47) LOXL2LOXNOTUMIDO1USP1
SCHEMBL31119651 0.78 KIF11 (0.54) LOXL2LOXNOTUMIDO1AAK1
SCHEMBL322475 0.77 SYK (0.52) LOXL2LOXNOTUMIDO1MAP4K4
SCHEMBL31375563 0.77 NOTUM (0.49) LOXL2LOXNOTUMIDO1USP1

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed