SCHEMBL24819872

SCHEMBL24819872

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3cc(C(C)(C)O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.39
▸ CBLB Q13191 6/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ S1PR1 P21453 6/20 0.33
▸ S1PR3 Q99500 6/20 0.33
▸ VSIR Q9H7M9 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 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
SCHEMBL30153156 1.00 CETP (0.39) CETPCBLBSCN9AESR1ESR2
SCHEMBL24819864 0.92 CETP (0.37) CETPCBLBSCN9AESR1ESR2
SCHEMBL30152764 0.92 CETP (0.37) CETPCBLBSCN9AESR1ESR2
SCHEMBL24818731 0.88 NPC1 (0.40) CETPCBLBSCN9AESR1ESR2
SCHEMBL30153127 0.87 S1PR1 (0.37) CETPCBLBSCN9AESR1ESR2
SCHEMBL24819786 0.87 S1PR1 (0.37) CETPCBLBSCN9AESR1ESR2
SCHEMBL30152749 0.86 CBLB (0.43) CBLBSCN9AVSIRTP53MAPT
SCHEMBL24819869 0.86 CBLB (0.43) CBLBSCN9AVSIRTP53MAPT
SCHEMBL24818728 0.85 SCN9A (0.38) CETPCBLBSCN9AS1PR1S1PR3
SCHEMBL30153353 0.85 SCN9A (0.38) CETPCBLBSCN9AS1PR1S1PR3

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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