SCHEMBL24818948

SCHEMBL24818948

COCC(C)NCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 2/20 0.35
▸ CBLB Q13191 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CETP P11597 1/20 0.31

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
SCHEMBL24818934 1.00 VSIR (0.35) VSIRCBLBALDH1A1CYP2D6CETP
SCHEMBL24818945 1.00 VSIR (0.35) VSIRCBLBALDH1A1CYP2D6CETP
SCHEMBL24818766 0.92 VSIR (0.36) VSIRALDH1A1CYP2D6CETP
SCHEMBL30152786 0.92 VSIR (0.36) VSIRALDH1A1CYP2D6CETP
SCHEMBL24819924 0.91 VSIR (0.37) VSIRCBLBCETP
SCHEMBL24819883 0.89 VSIR (0.42) VSIRCBLBCETP
SCHEMBL24820268 0.88 VSIR (0.41) VSIRCBLB
SCHEMBL24820251 0.87 VSIR (0.40) VSIRCBLBCETP
SCHEMBL24819928 0.87 VSIR (0.35) VSIRCBLBCETP
SCHEMBL30153009 0.86 CBLB (0.36) VSIRCBLB

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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