SCHEMBL24197345

SCHEMBL24197345

OCc1cccc(CNc2ccc(Br)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.54
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 2/20 0.51
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP19A1 P11511 1/20 0.45
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
KDM4C Q9H3R0 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
SCHEMBL9454973 0.84 HDAC8 (0.57) FFAR1FFAR4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9454963 0.82 HDAC8 (0.55) FFAR1FFAR4MAPTMEN1KMT2A
SCHEMBL24197554 0.82 AGER (0.72) AGERFFAR1FFAR4MAPTMEN1
SCHEMBL24197418 0.80 POLB (0.42) FFAR1FFAR4MAPTMEN1KMT2A
SCHEMBL30091081 0.79 MEN1 (0.57) AGERFFAR1FFAR4MAPTMEN1
SCHEMBL19534133 0.78 FFAR1 (0.61) AGERFFAR1FFAR4MAPTMEN1
SCHEMBL1242563 0.77 AGER (0.66) AGERFFAR1FFAR4MAPTMEN1
SCHEMBL24197546 0.76 HDAC4 (0.45) FFAR1FFAR4HDAC8HDAC6CYP19A1
SCHEMBL24197346 0.76 HDAC4 (0.50) AGERFFAR1FFAR4MAPTMEN1
SCHEMBL24197352 0.75 CYP19A1 (0.43) FFAR1FFAR4GAAHDAC8HDAC6

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-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 WO disclosed