SCHEMBL21390956

SCHEMBL21390956

Cc1cc2nc(CCCCC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c2nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
TP53 P04637 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
SCHEMBL21390952 0.97 RORC (0.34) RORCALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21390770 0.92 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391133 0.84 CYP11B1 (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390955 0.84 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390757 0.83
SCHEMBL21391134 0.82 RORC (0.33) RORCALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21390764 0.82 CYP11B1 (0.35) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391137 0.81 AGTR2 (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391155 0.80 ACSS2 (0.39) ALDH1A1HDAC1ACSS2
SCHEMBL21390756 0.80

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