SCHEMBL29792705

SCHEMBL29792705

OCc1c(-n2cnnn2)ccc(OC(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KLKB1 P03952 5/20 0.36
▸ F11 P03951 5/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23088171 1.00 NOTUM (0.39) NOTUMALDH1A1TSHRKMT2AKLKB1
SCHEMBL23088269 0.88 ALDH1A1 (0.40) NOTUMALDH1A1TSHRKMT2AKLKB1
SCHEMBL29792712 0.88 ALDH1A1 (0.40) NOTUMALDH1A1TSHRKMT2AKLKB1
SCHEMBL29792627 0.87 NOTUM (0.42) NOTUMALDH1A1TSHRKMT2AKLKB1
SCHEMBL23088016 0.87 NOTUM (0.42) NOTUMALDH1A1TSHRKMT2AKLKB1
SCHEMBL17221253 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AKLKB1F11
SCHEMBL29407413 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AKLKB1F11
SCHEMBL23088005 0.77 NOTUM (0.50) NOTUMALDH1A1KMT2AKLKB1F11
SCHEMBL23088411 0.77 ALDH1A1 (0.39) NOTUMALDH1A1TSHRKMT2ANPSR1
SCHEMBL23088152 0.75 ALDH1A1 (0.40) NOTUMALDH1A1TSHRKMT2ANPSR1

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
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 — — EP disclosed
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