SCHEMBL24818912

SCHEMBL24818912

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CO)cc(C4CC4)c3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.39
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PDCD1 Q15116 5/20 0.33
▸ CD274 Q9NZQ7 5/20 0.33
▸ CBLB Q13191 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ S1PR1 P21453 2/20 0.30
▸ S1PR3 Q99500 2/20 0.30
▸ MAP3K5 Q99683 1/20 0.30
▸ HTR3A P46098 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
SCHEMBL30152682 1.00 VSIR (0.39) VSIRESR1ESR2PDCD1CD274
SCHEMBL30152612 0.89 VSIR (0.40) VSIRESR1ESR2PDCD1CD274
SCHEMBL24818947 0.89 VSIR (0.40) VSIRESR1ESR2PDCD1CD274
SCHEMBL30153065 0.88 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL24821901 0.88 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL24820049 0.88 VSIR (0.42) VSIRPDCD1CD274HPGD
SCHEMBL24818878 0.87 VSIR (0.40) VSIRESR1ESR2PDCD1CD274
SCHEMBL24820720 0.87 VSIR (0.41) VSIRPDCD1CD274HPGD
SCHEMBL24819923 0.87 VSIR (0.42) VSIRESR1ESR2PDCD1CD274
SCHEMBL30152561 0.87 VSIR (0.42) VSIRESR1ESR2PDCD1CD274

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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