SCHEMBL21390781

SCHEMBL21390781

COc1cc(Cl)nc2c1nc(CCCCC(=O)CC(C)(O)c1ccccc1)n2C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.33
CREBBP Q92793 7/20 0.33
APLNR P35414 4/20 0.32
DRD2 P14416 2/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
DRD4 P21917 1/20 0.31

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
SCHEMBL21391133 0.81 CYP11B1 (0.33) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL20624354 0.80 CXCR6 (0.35) DRD2KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL19277847 0.80 CXCR6 (0.35) DRD2KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL19276253 0.80 CXCR6 (0.35) DRD2KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL21390770 0.80 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391036 0.80 HDAC1 (0.35) APLNRSMN1; SMN2
SCHEMBL21391172 0.80 ACSS2 (0.33) BRD4CREBBP
SCHEMBL21390956 0.80 RORC (0.33) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL21391169 0.80 BRD4 (0.38) BRD4
SCHEMBL21391137 0.79 AGTR2 (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1

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