SCHEMBL24820737

SCHEMBL24820737

COC(=O)c1ccc2oc(-c3cc(-c4ccc(Cl)cc4-c4nncn4C)cc(C4CC4)n3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 2/20 0.38
▸ MAPT P10636 9/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HPSE Q9Y251 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL30792049 1.00 AGPAT2 (0.38) AGPAT2MAPTRAB9ASMN1; SMN2TP53
SCHEMBL30792132 0.91 MAPT (0.38) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL30152867 0.91 MAPT (0.38) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL24818763 0.91 MAPT (0.38) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL30792199 0.89 CBLB (0.41) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL24820567 0.89 CBLB (0.41) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL30153017 0.89 CBLB (0.41) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL24820138 0.88 MAP3K5 (0.34) SMN1; SMN2TP53ALDH1A1
SCHEMBL30153076 0.88 MAP3K5 (0.34) SMN1; SMN2TP53ALDH1A1
SCHEMBL30792001 0.88 MAP3K5 (0.34) SMN1; SMN2TP53ALDH1A1

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 3 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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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