SCHEMBL28201976

SCHEMBL28201976

Clc1cccc(Cc2nc3cc(-c4ccccc4)ccc3s2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
GPR52 Q9Y2T5 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
CSNK1D P48730 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LIPG Q9Y5X9 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PDE5A O76074 1/20 0.39
MAP4K4 O95819 1/20 0.39
SLC5A2 P31639 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
SCHEMBL28201449 0.88 HDAC6 (0.49) HDAC6LIPG
SCHEMBL2956510 0.82 LOXL2 (0.62) LOXL2HDAC6PTGDR2
SCHEMBL203384 0.75 PIK3CA (0.44) LOXL2HDAC6LIPG
SCHEMBL6975411 0.74 LOXL2 (0.52) LOXL2HDAC6
SCHEMBL10340748 0.74 AKR1B1 (0.53) LOXL2HDAC6PTGDR2
SCHEMBL584581 0.72 LOXL2 (0.74) LOXL2HDAC6
SCHEMBL27520626 0.72 SLC5A2 (0.53) SLC5A2
SCHEMBL12596792 0.71 PIK3CA (0.58) LIPG
SCHEMBL2705988 0.71 LOXL2 (0.54) LOXL2HDAC6
SCHEMBL3190308 0.71 KDM4E (0.51) LOXL2HDAC6

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
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed