SCHEMBL24820101

SCHEMBL24820101

Cn1cnnc1-c1cc(F)ccc1-c1cc(-c2nc3cc(C=O)ccc3o2)cc(C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ S1PR1 P21453 3/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ FASN P49327 1/20 0.32
▸ UTRN P46939 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 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
SCHEMBL30153081 1.00 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30153113 0.88 — —
SCHEMBL30153166 0.88 CBLB (0.33) HSD11B1S1PR1FASN
SCHEMBL24820113 0.88 — —
SCHEMBL24818907 0.88 CBLB (0.33) HSD11B1S1PR1FASN
SCHEMBL24818801 0.87 UTRN (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30152971 0.85 S1PR1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24819948 0.85 S1PR1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24820486 0.85 CBLB (0.33) S1PR1S1PR3
SCHEMBL30153074 0.85 CBLB (0.33) S1PR1S1PR3

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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