SCHEMBL21390973

SCHEMBL21390973

CC(C)(C)OCC(=O)CCCCc1nc2ccc(Cl)nc2n1C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
TP53 P04637 1/20 0.31
HDAC1 Q13547 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21390721 0.85 CYP11B2 (0.35) CYP11B2CYP11B1HDAC1ALDH1A1MAPT
SCHEMBL21390950 0.84 CYP11B2 (0.36) CYP11B2CYP11B1HDAC1
SCHEMBL21390716 0.84 CPT1A (0.37) ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL21391009 0.84 CYP11B2 (0.34) CYP11B2CYP11B1
SCHEMBL21391006 0.81 CYP11B2 (0.36) CYP11B2CYP11B1
SCHEMBL21390713 0.81 CYP11B2 (0.36) CYP11B2CYP11B1TP53HDAC1ALDH1A1
SCHEMBL21390858 0.80 CYP11B2 (0.33) CYP11B2CYP11B1
SCHEMBL21390934 0.79 CYP11B2 (0.32) CYP11B2CYP11B1
SCHEMBL21390711 0.79 CYP11B2 (0.32) CYP11B2CYP11B1ALDH1A1SMN1; SMN2
SCHEMBL21391133 0.79 CYP11B1 (0.33) CYP11B2CYP11B1ALDH1A1KMT2AL3MBTL1

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