SCHEMBL21390935

SCHEMBL21390935

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.33
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
PGR P06401 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RORC P51449 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL23132029 0.97 HDAC1 (0.33) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21391177 0.94 RORC (0.32) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21391034 0.89 TNKS (0.32) HDAC1RORCBRD4CREBBP
SCHEMBL21391027 0.82 CDK4 (0.32) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21390826 0.82 CACNA1H (0.35) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21390794 0.81
SCHEMBL21391064 0.81 RORC (0.37) HDAC1RORC
SCHEMBL21391103 0.80 HDAC1 (0.33) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21390898 0.80 HDAC1 (0.32) HDAC1CDK4CCND1CCND3CDK6
SCHEMBL21390936 0.80

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