SCHEMBL17442828

SCHEMBL17442828

CS(=O)(=O)c1ccc2ncc(C[Fe]Cc3cc4c(Cl)c[nH]c4cc3F)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.45
▸ MAP4K1 Q92918 14/20 0.44

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
SCHEMBL17442811 0.77 KLKB1 (0.74) KLKB1MAP4K1
SCHEMBL21657112 0.74 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL17442807 0.68 KLKB1 (0.42) KLKB1MAP4K1
SCHEMBL17442808 0.65 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL21190210 0.65 KLKB1 (0.81) KLKB1MAP4K1
SCHEMBL17920374 0.65 GPR84 (0.47) KLKB1MAP4K1
SCHEMBL18371154 0.64 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL16880946 0.64 KLKB1 (0.78) KLKB1MAP4K1
SCHEMBL18360096 0.64 KLKB1 (0.65) KLKB1MAP4K1
SCHEMBL18360274 0.64 KLKB1 (0.65) KLKB1MAP4K1

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-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 — — EP disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
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