SCHEMBL21390820

SCHEMBL21390820

CC(O)(CC(=O)CCCCc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 13/20 0.33
PPARG P37231 2/20 0.32
IDH1 O75874 1/20 0.30
APEX1 P27695 1/20 0.30
ACKR3 P25106 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL21391179 0.98 ACSS2 (0.33) ACSS2PPARGIDH1HDAC3HDAC4
SCHEMBL21390957 0.88 NTRK1 (0.33) ACSS2PPARGAPEX1HDAC3HDAC4
SCHEMBL21390884 0.87 BRD4 (0.33) IDH1HDAC3HDAC4HDAC1HDAC2
SCHEMBL21391043 0.85 ACSS2 (0.41) ACSS2APEX1
SCHEMBL21390925 0.83 HPGDS (0.34) IDH1HDAC3HDAC4HDAC1HDAC2
SCHEMBL21390812 0.83 PDE4A (0.30)
SCHEMBL21391052 0.82 ACSS2 (0.36) ACSS2PPARG
SCHEMBL21390799 0.81 PTGDR2 (0.31)
SCHEMBL21390797 0.81 PTGDR2 (0.31)
SCHEMBL20111113 0.80 ACSS2 (0.38) ACSS2IDH1

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