SCHEMBL24818909

SCHEMBL24818909

COc1cc(C=O)cc2nc(-c3cccc([Si@]4(c5nncn5C)C[C@@H](C)C4)c3)oc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CBL P22681 1/20 0.30
▸ CBLB Q13191 1/20 0.30

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
SCHEMBL24818936 0.86 CBL (0.32) CBLCBLB
SCHEMBL24818926 0.86 HPGD (0.38) ESR1ESR2HPGD
SCHEMBL24821953 0.85 ESR1 (0.35) ESR1ESR2PDE4CHPGDCHRM2
SCHEMBL24818910 0.80 CD274 (0.35) —
SCHEMBL24820656 0.76 CETP (0.33) ESR2HPGDCBLCBLB
SCHEMBL24818927 0.75 DRD2 (0.31) CBLCBLB
SCHEMBL24818935 0.74 S1PR1 (0.34) ESR1ESR2CBLCBLB
SCHEMBL24818930 0.73 SMN1; SMN2 (0.35) ESR1ESR2PDE4CHPGD
SCHEMBL24818937 0.69 TRPV3 (0.33) CBLB
SCHEMBL30153197 0.67 CBLB (0.54) CBLCBLB

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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