SCHEMBL20535672

SCHEMBL20535672

NC(=O)c1oc2ccc(-c3ccc(Br)cc3)cc2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.60
HSD17B10 Q99714 8/20 0.60
ALDH1A1 P00352 8/20 0.60
HPGD P15428 7/20 0.60
SMN1; SMN2 Q16637 9/20 0.53
NPC1 O15118 9/20 0.53
RAB9A P51151 8/20 0.53
MAPT P10636 7/20 0.53
CASP1 P29466 2/20 0.53
ADORA2A P29274 1/20 0.53
AHR P35869 1/20 0.49
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.42
PRNP P04156 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL20535050 0.88 SMN1; SMN2 (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL1850280 0.88 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20535057 0.87 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20535680 0.87 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20535044 0.87 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20535014 0.85 KDM4E (0.78) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20535965 0.85 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20534973 0.82 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20534817 0.82 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL20534820 0.82 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO claimed
WO-2018189683-A1 BENZOFURAN DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 WO disclosed