SCHEMBL31367022

SCHEMBL31367022

NCc1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.47
LOX P28300 3/20 0.47
LOXL3 P58215 1/20 0.47
ECE2 P0DPD6 1/20 0.45
ROCK1 Q13464 1/20 0.44
SHMT2 P34897 1/20 0.44
ADRB2 P07550 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL2860410 1.00 LOXL2 (0.47) LOXL2LOXLOXL3ECE2ROCK1
Hydrochloric Acid SCHEMBL28952754 0.98 LOXL2 (0.45) LOXL2LOXLOXL3ECE2ROCK1
SCHEMBL2859216 0.83 TAAR1 (0.45) LOXL2ECE2SHMT2ADRB2
SCHEMBL3387430 0.79 NOS3 (0.50) LOXL2ADRB2NOS1NOS2
SCHEMBL7029899 0.79 ECE2 (0.46) ECE2SHMT2
SCHEMBL843959 0.77 ECE2 (0.45) ECE2SHMT2
SCHEMBL6763074 0.77 ECE2 (0.49) ECE2SHMT2
SCHEMBL3820906 0.77 ECE2 (0.45) ECE2SHMT2
SCHEMBL9611255 0.77 ECE2 (0.45) ECE2SHMT2
SCHEMBL2056360 0.77 NOS3 (0.52) ECE2SHMT2NOS1NOS2

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-119677743-A Heterocyclic compounds and their use 成都先导药物开发股份有限公司 2025-03-21 CN disclosed