SCHEMBL19959641

SCHEMBL19959641

Cc1ccc(=O)n(CCN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23468026 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8276888 0.78 ALDH1A1 (0.53) POLBKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL19952980 0.78 ALDH3A1 (0.44) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL4250096 0.76 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18516333 0.76 SMN1; SMN2 (0.44) POLBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8276917 0.76 MALT1 (0.44) POLBKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20726687 0.76 SMN1; SMN2 (0.49) POLBALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL8276880 0.76 SMN1; SMN2 (0.50) POLBKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11983508 0.75 MAPK14 (0.56) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL19172634 0.75 SMN1; SMN2 (0.47) POLBKDM4EALDH1A1HPGDL3MBTL1

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-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed