SCHEMBL30995034

SCHEMBL30995034

Oc1cc(-c2cc(Cl)ccc2-n2cnnn2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.48
▸ KLK1 P06870 2/20 0.48
▸ F9 P00740 1/20 0.42

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
SCHEMBL29227914 1.00 F11 (0.48) F11KLK1F9
SCHEMBL30995006 0.82 ALDH1A1 (0.49) F11KLK1F9
SCHEMBL30271787 0.82 F11 (0.43) F11KLK1
SCHEMBL16971881 0.82 F11 (0.43) F11KLK1
SCHEMBL30995053 0.81 F11 (0.45) F11KLK1F9
SCHEMBL29227939 0.81 F11 (0.45) F11KLK1F9
SCHEMBL17479508 0.76 MARS1 (0.48) F11KLK1F9
SCHEMBL29958128 0.74 NOTUM (0.53) F11KLK1
SCHEMBL3009848 0.74 NOTUM (0.53) F11KLK1
SCHEMBL21712731 0.74 NOTUM (0.45) F11KLK1

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-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
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