SCHEMBL24820501

SCHEMBL24820501

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 2/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ CETP P11597 1/20 0.34
▸ S1PR1 P21453 8/20 0.33
▸ S1PR3 Q99500 7/20 0.33
▸ VSIR Q9H7M9 4/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL30153254 1.00 CBLB (0.37) CBLBSCN9ACETPS1PR1S1PR3
SCHEMBL24818753 0.92 VSIR (0.34) CBLBSCN9ACETPS1PR1VSIR
SCHEMBL30153241 0.89 CBLB (0.39) CBLBCETP
SCHEMBL24818899 0.89 CBLB (0.39) CBLBCETP
SCHEMBL24818731 0.88 NPC1 (0.40) CBLBSCN9ACETPS1PR1S1PR3
SCHEMBL30152989 0.86 VSIR (0.34) CBLBVSIR
SCHEMBL24820065 0.86 VSIR (0.34) CBLBVSIR
SCHEMBL30152749 0.86 CBLB (0.43) CBLBSCN9AVSIRTP53MAPT
SCHEMBL24819869 0.86 CBLB (0.43) CBLBSCN9AVSIRTP53MAPT
SCHEMBL24818728 0.85 SCN9A (0.38) CBLBSCN9ACETPS1PR1S1PR3

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
Send feedback