SCHEMBL24820567

SCHEMBL24820567

COC(=O)c1ccc2oc(-c3cc(-c4ccc(C#N)cc4-c4nncn4C)cc(C4CC4)n3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CETP P11597 10/20 0.37
▸ MAPT P10636 5/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPSE Q9Y251 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL30153017 1.00 CBLB (0.41) CBLBHDAC6CETPMAPTRAB9A
SCHEMBL30792199 1.00 CBLB (0.41) CBLBHDAC6CETPMAPTRAB9A
SCHEMBL30152867 0.89 MAPT (0.38) HDAC6MAPTRAB9ASMN1; SMN2TP53
SCHEMBL24820737 0.89 AGPAT2 (0.38) HDAC6MAPTRAB9ASMN1; SMN2TP53
SCHEMBL24818763 0.89 MAPT (0.38) HDAC6MAPTRAB9ASMN1; SMN2TP53
SCHEMBL30792049 0.89 AGPAT2 (0.38) HDAC6MAPTRAB9ASMN1; SMN2TP53
SCHEMBL30792132 0.89 MAPT (0.38) HDAC6MAPTRAB9ASMN1; SMN2TP53
SCHEMBL24818967 0.88 CBLB (0.41) CBLBCETPSMN1; SMN2CYP11B2KDM4E
SCHEMBL30792053 0.88 CBLB (0.41) CBLBCETPSMN1; SMN2CYP11B2KDM4E
SCHEMBL30153054 0.88 CBLB (0.41) CBLBCETPSMN1; SMN2CYP11B2KDM4E

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