SCHEMBL21391101

SCHEMBL21391101

Cc1c(N(C)C)ccc2nc(CCCC(=O)CC(C)(O)c3ccccc3)n(C3CCC3)c12

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
BAP1 Q92560 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK1 P23458 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 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
SCHEMBL21391170 0.86 KDM2B (0.33) SMN1; SMN2ACSS2
SCHEMBL21391133 0.79 CYP11B1 (0.33) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL21390955 0.79 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL21391155 0.79 ACSS2 (0.39) ALDH1A1ACSS2TNKSPARP1PARP2
SCHEMBL21391072 0.78 PDE10A (0.34) ALDH1A1ACSS2TNKSPARP1PARP2
SCHEMBL21391134 0.77 RORC (0.33) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL21390770 0.77 ALDH1A1 (0.31) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL21390952 0.77 RORC (0.34) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1
SCHEMBL21391063 0.77 HDAC1 (0.36) ACSS2
SCHEMBL21390956 0.77 RORC (0.33) ALDH1A1MAPTSMN1; SMN2NPSR1MAPK1

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