SCHEMBL21390952

SCHEMBL21390952

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TNKS O95271 5/20 0.31
PARP2 Q9UGN5 5/20 0.31
ACSS2 Q9NR19 1/20 0.31
HDAC1 Q13547 1/20 0.31
TP53 P04637 1/20 0.30
ENPP2 Q13822 1/20 0.30
PARP1 P09874 4/20 0.30
CHRM3 P20309 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
SCHEMBL21390956 0.97 RORC (0.33) RORCL3MBTL1GAAALOX15ALDH1A1
SCHEMBL21390770 0.90 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391133 0.87 CYP11B1 (0.33) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21391155 0.83 ACSS2 (0.39) ALDH1A1TNKSPARP2ACSS2HDAC1
SCHEMBL21390755 0.82 RORC (0.40) RORCSMN1; SMN2TNKSPARP2ACSS2
SCHEMBL21390756 0.82
SCHEMBL21391072 0.82 PDE10A (0.34) ALDH1A1TNKSPARP2ACSS2PARP1
SCHEMBL21390955 0.81 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL20624116 0.80 EGFR (0.36) RORCALDH1A1SMN1; SMN2NPSR1ACSS2
SCHEMBL19276102 0.80 EGFR (0.36) RORCALDH1A1SMN1; SMN2NPSR1ACSS2

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