SCHEMBL24821968

SCHEMBL24821968

COC(=O)c1cc(F)c2oc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)c3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ATM Q13315 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
SCHEMBL30153034 1.00 CYP11B2 (0.33) CYP11B2IDO1CYP11B1MAP3K5HDAC3
SCHEMBL24820485 0.91 CETP (0.33) CYP11B2IDO1CYP11B1CBLBKCNH2
SCHEMBL30153198 0.91 CETP (0.33) CYP11B2IDO1CYP11B1CBLBKCNH2
SCHEMBL30792046 0.89 MAP3K5 (0.34) CYP11B2IDO1CYP11B1MAP3K5HPGD
SCHEMBL24820582 0.89 MAP3K5 (0.34) CYP11B2IDO1CYP11B1MAP3K5HPGD
SCHEMBL30152957 0.89 MAP3K5 (0.34) CYP11B2IDO1CYP11B1MAP3K5HPGD
SCHEMBL24818992 0.89 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30153052 0.89 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24821906 0.88 HPGD (0.39) HPGDMAPTESR2KDM4ENPC1
SCHEMBL30153089 0.88 HPGD (0.39) HPGDMAPTESR2KDM4ENPC1

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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