SCHEMBL24821901

SCHEMBL24821901

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 0.42
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32
▸ HPN P05981 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CEPT1 Q9Y6K0 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL30153065 1.00 VSIR (0.42) VSIRHPGDLMNAGAAPDCD1
SCHEMBL24820049 0.93 VSIR (0.42) VSIRHPGDLMNAGAAPDCD1
SCHEMBL24820720 0.91 VSIR (0.41) VSIRHPGDLMNAGAAPDCD1
SCHEMBL24819923 0.91 VSIR (0.42) VSIRHPGDPDCD1CD274ESR1
SCHEMBL30153044 0.91 VSIR (0.41) VSIRHPGDLMNAGAAPDCD1
SCHEMBL30152561 0.91 VSIR (0.42) VSIRHPGDPDCD1CD274ESR1
SCHEMBL24818674 0.90 VSIR (0.40) VSIRHPGD
SCHEMBL24820062 0.90 VSIR (0.40) VSIRHPGDLMNAGAAPDCD1
SCHEMBL24821896 0.90 VSIR (0.40) VSIRHPGDLMNAGAAPDCD1
SCHEMBL24818878 0.90 VSIR (0.40) VSIRHPGDPDCD1CD274MAPK1

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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