SCHEMBL28904292

SCHEMBL28904292

Clc1ccc(-n2cc(Cl)nn2)c(-c2cc[c]cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.43
▸ F11 P03951 17/20 0.37
▸ KLKB1 P03952 13/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL30995002 0.84 FLT3 (0.46) NOTUMF11KLKB1KCNH2
SCHEMBL30995005 0.75 MAP4K4 (0.41) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL30995039 0.75 F11 (0.40) NOTUMF11KLKB1CYP3A4
SCHEMBL29228002 0.75 F11 (0.40) NOTUMF11KLKB1CYP3A4
SCHEMBL29227912 0.75 MAP4K4 (0.41) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL31174046 0.74 NOTUM (0.43) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL30995065 0.74 NOTUM (0.43) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL30995025 0.73 NOTUM (0.39) NOTUMF11KLKB1KCNH2
SCHEMBL24633365 0.73 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30995011 0.73 F11 (0.43) F11KLKB1CYP3A4

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-115427043-A Medical application of FXIa inhibitor compound or salt thereof 深圳信立泰药业股份有限公司 2022-12-02 — — CN disclosed
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