SCHEMBL21391016

SCHEMBL21391016

CC(C)(C)CC(=O)CCCc1nc2ccc(OC(F)F)cc2n1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
BRD4 O60885 4/20 0.34
CREBBP Q92793 3/20 0.34
ACACB O00763 1/20 0.34
IDH1 O75874 6/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL21390680 0.97 HDAC1 (0.36) HDAC1PIK3CAPRKDCBRD4CREBBP
SCHEMBL21390672 0.86 BRD4 (0.34) HDAC1PIK3CAPRKDCBRD4CREBBP
SCHEMBL23132031 0.83 CYP11B2 (0.41) HDAC1
SCHEMBL21390681 0.83 BRD4 (0.35) HDAC1BRD4
SCHEMBL21390884 0.82 BRD4 (0.33) HDAC1BRD4IDH1
SCHEMBL23132028 0.80 BRD4 (0.35) HDAC1BRD4
SCHEMBL21354567 0.79 ALK (0.41) IDH1
SCHEMBL21390697 0.78 BRD4 (0.33) BRD4CREBBPACACB
SCHEMBL21390928 0.78 HPGDS (0.36) HDAC1ACACBIDH1HPGDS
SCHEMBL21390826 0.77 CACNA1H (0.35) HDAC1BRD4CREBBPACACBIDH1

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