SCHEMBL20535689

SCHEMBL20535689

NC(=O)c1oc2cc(-c3cccc([N+](=O)[O-])c3)ccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
TSHR P16473 1/20 0.46
NQO2 P16083 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 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
SCHEMBL20534986 0.90 NPC1 (0.57) RAB9ANPC1TSHRNQO2HDAC2
SCHEMBL20534961 0.89 NPC1 (0.48) RAB9ANPC1TSHRNQO2ALDH1A1
SCHEMBL13699679 0.86 NPC1 (0.55) RAB9ANPC1TSHRALDH1A1MAPT
SCHEMBL13699672 0.82 KDM4E (0.50) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL13335707 0.81 RAB9A (0.45) RAB9ANPC1TSHRNQO2HDAC2
SCHEMBL5010323 0.81 NPC1 (0.45) RAB9ANPC1HDAC2ALDH1A1MAPT
SCHEMBL20535696 0.80 KDM4E (0.59) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL20535047 0.80 SLC9A1 (0.43) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL13335705 0.79 RAB9A (0.44) RAB9ANPC1NQO2HDAC2ALDH1A1
SCHEMBL13335720 0.79 RAB9A (0.44) RAB9ANPC1NQO2HDAC2ALDH1A1

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