SCHEMBL21390950

SCHEMBL21390950

CC(C)(C)CC(=O)CCCc1nc2ccc(Cl)nc2n1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 3/20 0.36
HDAC1 Q13547 4/20 0.32
RORC P51449 1/20 0.32
JAK1 P23458 1/20 0.31
PIK3CA P42336 2/20 0.31

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
SCHEMBL21391133 0.88 CYP11B1 (0.33) CYP11B2CYP11B1
SCHEMBL21391009 0.87 CYP11B2 (0.34) CYP11B2CYP11B1
SCHEMBL21391130 0.87 CYP11B2 (0.38) CYP11B2HDAC1PIK3CA
SCHEMBL21391006 0.86 CYP11B2 (0.36) CYP11B2CYP11B1
SCHEMBL21390713 0.86 CYP11B2 (0.36) CYP11B2CYP11B1HDAC1RORCJAK1
SCHEMBL21390973 0.84 CYP11B2 (0.34) CYP11B2CYP11B1HDAC1
SCHEMBL21390721 0.84 CYP11B2 (0.35) CYP11B2CYP11B1HDAC1JAK1
SCHEMBL21390976 0.83 CYP11B2 (0.37) CYP11B2CYP11B1
SCHEMBL21391132 0.82 TBXA2R (0.40) HDAC1RORCJAK1
SCHEMBL21390942 0.80 CYP11B2 (0.32) CYP11B2CYP11B1

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