SCHEMBL24820405

SCHEMBL24820405

Cc1nc2cc(C(=O)N3CC[C@@H](O)C3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
PDK2 Q15119 2/20 0.40
LOXL2 Q9Y4K0 4/20 0.39
LOX P28300 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CBLB Q13191 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 2/20 0.37
CCNK O75909 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
HPGD P15428 1/20 0.37
FASN P49327 2/20 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
SCHEMBL24820416 1.00 HDAC4 (0.44) HDAC4PDK2LOXL2LOXRAB9A
SCHEMBL24820337 1.00 HDAC4 (0.44) HDAC4PDK2LOXL2LOXRAB9A
SCHEMBL24820335 0.84 HPGD (0.43) HDAC4RAB9ANPC1KMT2AHPGD
SCHEMBL24820414 0.80 ACACB (0.45) KMT2A
SCHEMBL24820342 0.75 ALDH1A1 (0.44) SCN9A
SCHEMBL24820340 0.75 ALDH1A1 (0.44) SCN9A
SCHEMBL24820338 0.75 ALDH1A1 (0.44) SCN9A
SCHEMBL24821729 0.75 TDP1 (0.47) RAB9ANPC1HSP90AA1HPGD
SCHEMBL13122951 0.75 PDK2 (0.54) HDAC4PDK2LOXL2LOXHSP90AA1
SCHEMBL21200128 0.69 LOXL2 (0.50) HDAC4PDK2LOXL2LOXCBLB

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