SCHEMBL21391155

SCHEMBL21391155

CC(O)(CC(=O)CCCc1nc2ccc(Cl)cc2n1C1CCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.39
TNKS O95271 4/20 0.39
PARP2 Q9UGN5 3/20 0.39
PARP1 P09874 1/20 0.37
TBXA2R P21731 2/20 0.36
FPR2 P25090 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ENPP2 Q13822 1/20 0.35
HDAC1 Q13547 1/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21390805 0.85 TNKS (0.35) ACSS2TNKSPARP2PARP1HDAC1
SCHEMBL21391133 0.85 CYP11B1 (0.33) ACSS2TNKSPARP2CYP11B1CYP11B2
SCHEMBL21390668 0.83 HDAC1 (0.35) ACSS2TNKSPARP2PARP1HDAC1
SCHEMBL21390952 0.83 RORC (0.34) ACSS2TNKSPARP2PARP1ENPP2
SCHEMBL21390770 0.81 ALDH1A1 (0.31) ACSS2HDAC1ALDH1A1
SCHEMBL21391060 0.81 HDAC1 (0.36) ACSS2TBXA2RCYP11B1CYP11B2HDAC1
SCHEMBL21391063 0.81 HDAC1 (0.36) ACSS2TBXA2RCYP11B1CYP11B2HDAC1
SCHEMBL21390956 0.80 RORC (0.33) ACSS2HDAC1ALDH1A1
SCHEMBL21391072 0.80 PDE10A (0.34) ACSS2TNKSPARP2PARP1CYP11B2
SCHEMBL17582818 0.79 ALK (0.43) ACSS2

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