SCHEMBL28505430

SCHEMBL28505430

NCc1ccnc(-c2cc[c]cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.58
LOX P28300 5/20 0.47
LOXL3 P58215 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
ROCK1 Q13464 1/20 0.38
ADRB2 P07550 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
SCHEMBL5991845 0.81 LOXL2 (0.70) LOXL2LOXLOXL3IRAK4ASIC3
SCHEMBL352525 0.80 LOXL2 (0.61) LOXL2LOXLOXL3ROCK1ADRB2
SCHEMBL28521183 0.80 LOXL2 (0.59) LOXL2LOXLOXL3IRAK4ASIC3
SCHEMBL14303459 0.80 LOXL2 (0.64) LOXL2LOXLOXL3IRAK4ASIC3
SCHEMBL18233498 0.79 LOXL2 (0.62) LOXL2LOXLOXL3IRAK4
SCHEMBL18049349 0.79 LOXL2 (0.62) LOXL2LOXLOXL3IRAK4
Hydrochloric Acid SCHEMBL18223825 0.77 LOXL2 (0.60) LOXL2LOXLOXL3IRAK4
SCHEMBL3718582 0.75 LOXL2 (0.57) LOXL2LOXLOXL3
SCHEMBL27602559 0.74 LOXL2 (0.60) LOXL2LOXLOXL3IRAK4ADRB2
SCHEMBL27602586 0.74 LOXL2 (0.56) LOXL2LOXLOXL3IRAK4ASIC3

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-107624110-B Lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-01-26 CN disclosed