SCHEMBL21391170

SCHEMBL21391170

COc1ccc2nc(CCCCC(=O)C[C@@](C)(O)c3ccccc3)n(C3CCC3)c2c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.33
APLNR P35414 3/20 0.31
CHRM3 P20309 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EP300 Q09472 1/20 0.31
RORC P51449 3/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL21391101 0.86 ALDH1A1 (0.31) ACSS2SMN1; SMN2
SCHEMBL21391036 0.83 HDAC1 (0.35) APLNRACSS2POLBSMN1; SMN2
SCHEMBL21391169 0.81 BRD4 (0.38)
SCHEMBL21391072 0.81 PDE10A (0.34) ACSS2
SCHEMBL21390955 0.80 ALDH1A1 (0.32) ACSS2SMN1; SMN2
SCHEMBL21390924 0.79 HTR3A (0.34) APLNR
SCHEMBL21390781 0.79 BRD4 (0.33) APLNRSMN1; SMN2
SCHEMBL21391134 0.78 RORC (0.33) ACSS2SMN1; SMN2RORC
SCHEMBL21390956 0.78 RORC (0.33) ACSS2SMN1; SMN2RORC
SCHEMBL21390764 0.78 CYP11B1 (0.35) ACSS2SMN1; SMN2

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