SCHEMBL21390977

SCHEMBL21390977

CC(C)(O)CC(=O)CCCCc1nc2ccc(N3CCOCC3)nc2n1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.37
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CA P42336 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK6 Q00534 1/20 0.34
GLA P06280 2/20 0.33
SHMT2 P34897 2/20 0.33
HSD17B10 Q99714 6/20 0.32
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 5/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
HPGD P15428 4/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL21391073 0.81 PDE10A (0.37) PIK3CA
SCHEMBL21390783 0.80 ACACB (0.42)
SCHEMBL19278015 0.79 GBA1 (0.42) GBA1CDK4CCND1CDK6GLA
SCHEMBL21390787 0.75 RORC (0.30)
SCHEMBL21390920 0.74 RORC (0.33) PIK3CA
SCHEMBL16084313 0.74 GBA1 (0.43) GBA1CDK4CCND1CDK6GLA
SCHEMBL21390903 0.74 RORC (0.32)
SCHEMBL21390907 0.74 RORC (0.32)
SCHEMBL21390954 0.73 RORC (0.32)
SCHEMBL21390950 0.73 CYP11B2 (0.36) PIK3CA

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