SCHEMBL31174108

SCHEMBL31174108

O=c1[nH]cc(F)c(-c2c(-n3cc(Cl)nn3)ccc(Cl)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 5/20 0.35
▸ F2 P00734 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NOTUM Q6P988 4/20 0.31
▸ TYMS P04818 1/20 0.30

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
SCHEMBL31174096 0.92 F11 (0.33) F11F2KLKB1CA12CA1
SCHEMBL31174095 0.86 F11 (0.34) F11F2KLKB1CA12CA1
SCHEMBL31174048 0.81 F11 (0.38) F11KLKB1
SCHEMBL31174040 0.81 ALDH2 (0.33) F11F2KLKB1CA12CA1
SCHEMBL31174072 0.81 F11 (0.33) F11F2KLKB1CA12CA1
SCHEMBL30995003 0.79 NOTUM (0.37) F11CA12CA1CA2CA9
SCHEMBL31174059 0.78 TYMS (0.34) F11F2KLKB1CA12CA1
SCHEMBL31174065 0.78 F11 (0.36) F11F2KLKB1CA12CA1
SCHEMBL31174084 0.77 F11 (0.37) F11KLKB1NOTUM
SCHEMBL31252479 0.75 F11 (0.33) F11F2KLKB1NOTUM

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-118852163-A Macrocyclic compound containing heteroatoms, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-10-29 — — CN disclosed
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