SCHEMBL24818797

SCHEMBL24818797

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(NCCC4CCCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 1/20 0.34
▸ CDK9 P50750 2/20 0.33
▸ CETP P11597 2/20 0.32
▸ CBLB Q13191 3/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTR3A P46098 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL30152636 1.00 VSIR (0.34) VSIRCDK9CETPCBLBACP1
SCHEMBL24820329 0.99 VSIR (0.34) VSIRCDK9CETPCBLBACP1
SCHEMBL30152896 0.99 VSIR (0.34) VSIRCDK9CETPCBLBACP1
SCHEMBL24818772 0.90 VSIR (0.40) VSIRCBLBS1PR1S1PR3
SCHEMBL30152666 0.89 VSIR (0.34) VSIRCETPCBLBHPGDS1PR1
SCHEMBL24820425 0.89 VSIR (0.34) VSIRCETPCBLBHPGDS1PR1
SCHEMBL30153143 0.86 VSIR (0.40) VSIRCETPCBLBS1PR1S1PR3
SCHEMBL24819867 0.86 VSIR (0.40) VSIRCETPCBLBS1PR1S1PR3
SCHEMBL24818822 0.86 VSIR (0.34) VSIRCETPCBLBHPGD
SCHEMBL30152901 0.86 VSIR (0.34) VSIRCETPCBLBHPGD

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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