SCHEMBL21607014

SCHEMBL21607014

Nc1nc(Br)c(CN2CCCCC2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
PTPN1 P18031 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FBP1 P09467 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR1 P34998 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21604547 0.70 OGA (0.52) ALDH1A1LMNAKDM4E
SCHEMBL31612259 0.64 HRH2 (0.56) L3MBTL1ALDH1A1HRH3HSD17B10
SCHEMBL17632140 0.63 SMN1; SMN2 (0.49) ALDH1A1ADORA2AADORA1PTPN1FBP1
SCHEMBL3198772 0.63 RAD52 (0.36) L3MBTL1ALDH1A1ADORA2AADORA1PTPN1
SCHEMBL11827070 0.63 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1ADORA2AADORA1HRH3
SCHEMBL3632268 0.63 SMN1; SMN2 (0.71) L3MBTL1ALDH1A1HRH3SMN1; SMN2HSD17B10
SCHEMBL27459046 0.63 FBP1 (0.40) ALDH1A1FBP1GAASMN1; SMN2
SCHEMBL27884776 0.63 CYP1A2 (0.33)
SCHEMBL21452299 0.62 GNRHR (0.40) L3MBTL1ALDH1A1HRH3TDP1SMN1; SMN2
SCHEMBL1033875 0.61 SMN1; SMN2 (0.73) L3MBTL1ALDH1A1SMN1; SMN2HSD17B10LMNA

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-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed