SCHEMBL24818992

SCHEMBL24818992

COC(=O)c1ccc2oc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)c3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ MAPT P10636 9/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ FASN P49327 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL30153052 1.00 HDAC6 (0.42) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL24818763 0.89 MAPT (0.38) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL30152867 0.89 MAPT (0.38) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL30153034 0.89 CYP11B2 (0.33) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL24821968 0.89 CYP11B2 (0.33) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL30792132 0.89 MAPT (0.38) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL24818715 0.87 MAPT (0.45) HDAC6MAPTSMN1; SMN2RAB9ATP53
SCHEMBL30153198 0.86 CETP (0.33) —
SCHEMBL24820485 0.86 CETP (0.33) —
SCHEMBL24819948 0.84 S1PR1 (0.35) HDAC6HDAC3HDAC8HDAC1HDAC2

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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