SCHEMBL21391034

SCHEMBL21391034

CC(O)(CC(=O)CCCCc1nc2c(F)cc(C#N)cc2n1C1CCC1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
HDAC1 Q13547 2/20 0.30
BRD4 O60885 5/20 0.30
CREBBP Q92793 5/20 0.30
RORC P51449 1/20 0.30
CPT1A P50416 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
SCHEMBL21391065 0.91 RORC (0.35) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL21391177 0.89 RORC (0.32) HDAC1RORC
SCHEMBL21391163 0.89 CYP19A1 (0.32) ALDH1A1ACSS2HDAC1BRD4CREBBP
SCHEMBL21390935 0.89 HDAC1 (0.33) HDAC1BRD4CREBBPRORC
SCHEMBL21391061 0.87 ACSS2 (0.33) ACSS2HDAC1BRD4CREBBP
SCHEMBL23132029 0.86 HDAC1 (0.33) KDM4EALDH1A1HPGDHDAC1BRD4
SCHEMBL21390669 0.86 CYP11B2 (0.39) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL21391062 0.85 ACSS2 (0.33) ACSS2
SCHEMBL21390668 0.81 HDAC1 (0.35) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL21391060 0.81 HDAC1 (0.36) ACSS2HDAC1RORCCPT1A

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