SCHEMBL31174100

SCHEMBL31174100

O=c1[nH]ccc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.43
▸ KLKB1 P03952 18/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PRSS3 P35030 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
SCHEMBL30995050 0.90 F11 (0.41) F11KLKB1CYP3A4F2F10
SCHEMBL30995014 0.86 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL29227922 0.86 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL31174129 0.84 F11 (0.43) F11KLKB1CYP3A4F2F10
SCHEMBL31174078 0.83 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL31174041 0.83 F11 (0.39) F11KLKB1
SCHEMBL29227932 0.82 F11 (0.39) F11KLKB1CYP3A4
SCHEMBL24633398 0.81 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL31174118 0.81 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL30995020 0.79 F11 (0.41) F11KLKB1CYP3A4F2F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737457-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
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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