SCHEMBL30152561

SCHEMBL30152561

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 12/20 0.42
▸ ESR1 P03372 5/20 0.35
▸ ESR2 Q92731 5/20 0.35
▸ HPGD P15428 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ CD274 Q9NZQ7 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL24819923 1.00 VSIR (0.42) VSIRESR1ESR2HPGDHDAC6
SCHEMBL24821901 0.91 VSIR (0.42) VSIRESR1ESR2HPGDPDCD1
SCHEMBL30153065 0.91 VSIR (0.42) VSIRESR1ESR2HPGDPDCD1
SCHEMBL24820049 0.91 VSIR (0.42) VSIRHPGDPDCD1CD274MAPT
SCHEMBL24820720 0.90 VSIR (0.41) VSIRHPGDPDCD1CD274MAPT
SCHEMBL30153044 0.90 VSIR (0.41) VSIRHPGDPDCD1CD274MAPT
SCHEMBL24820062 0.88 VSIR (0.40) VSIRHPGDPDCD1CD274
SCHEMBL24818674 0.88 VSIR (0.40) VSIRHPGD
SCHEMBL24818878 0.88 VSIR (0.40) VSIRESR1ESR2HPGDPDCD1
SCHEMBL24820156 0.88 VSIR (0.40) VSIRHPGDPDCD1CD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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