SCHEMBL21390928

SCHEMBL21390928

CC(C)(CC(=O)CCCc1nc2ccc(OC(F)F)cc2n1C(C)(C)C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
HDAC3 O15379 1/20 0.32
PTGS1 P23219 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ACACB O00763 1/20 0.31
BMI1 P35226 1/20 0.31
ABL1 P00519 1/20 0.31
PDE2A O00408 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL21390681 0.89 BRD4 (0.35) HDAC3PTGS1HDAC4HDAC1HDAC2
SCHEMBL23132028 0.86 BRD4 (0.35) HDAC3PTGS1HDAC4HDAC1HDAC2
SCHEMBL21390925 0.85 HPGDS (0.34) HPGDSHDAC3PTGS1HDAC4HDAC1
SCHEMBL21391052 0.83 ACSS2 (0.36)
SCHEMBL21390807 0.81 CYP11B2 (0.35)
SCHEMBL21354562 0.79 HPGDS (0.40) HPGDSACACBABL1PDE2AIDH1
SCHEMBL21391016 0.78 HDAC1 (0.36) HPGDSHDAC1ACACBIDH1
SCHEMBL21390680 0.76 HDAC1 (0.36) HPGDSHDAC3HDAC4HDAC1HDAC2
SCHEMBL21391167 0.76 PPARG (0.40) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL21390697 0.75 BRD4 (0.33) ACACBPDE2A

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed