SCHEMBL20284239

SCHEMBL20284239

CC(=O)N(C)c1ncc(C=O)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
OGA O60502 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNJ1 P48048 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
UCHL1 P09936 2/20 0.31
GAA P10253 1/20 0.31
MLYCD O95822 1/20 0.30
USP30 Q70CQ3 2/20 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
SCHEMBL7230926 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1KCNJ1MAPT
SCHEMBL12824358 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1KCNJ1ALOX15
SCHEMBL1749460 0.75 KDM4E (0.44) ALDH1A1KDM4ECYP1A2SMN1; SMN2OGA
SCHEMBL21358923 0.72 OGA (0.43) ALDH1A1KDM4ECYP1A2SMN1; SMN2OGA
SCHEMBL3129610 0.72 KDM4E (0.42) ALDH1A1KDM4ECYP1A2SMN1; SMN2OGA
SCHEMBL16742553 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EOGATDP1KCNJ1
SCHEMBL21369613 0.71 OGA (0.42) ALDH1A1KDM4ECYP1A2SMN1; SMN2OGA
SCHEMBL24862745 0.67 OGA (0.57) ALDH1A1KDM4ESMN1; SMN2OGATDP1
SCHEMBL4100380 0.67 CSNK2A2 (0.46) OGAMAPT
SCHEMBL2411773 0.66 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1KCNJ1MLYCD

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-2018109198-A1 BICYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed