SCHEMBL28368237

SCHEMBL28368237

O=C(Cl)c1nc2c(Br)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 3/20 0.37
LIPG Q9Y5X9 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
DYRK1A Q13627 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
RAB9A P51151 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35

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
SCHEMBL29749250 1.00 MAPT (0.41) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL3640930 0.85 MAPT (0.46) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL28901461 0.80 PDE10A (0.47) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL29749248 0.80 ALDH1A1 (0.59) MAPTCASP3SENP8SENP7SENP6
SCHEMBL28368126 0.80 ALDH1A1 (0.59) MAPTCASP3SENP8SENP7SENP6
SCHEMBL3258678 0.74 MAPT (0.50) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL2749466 0.73 ALDH1A1 (0.56) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL193533 0.72 ALDH1A1 (0.62) MAPTL3MBTL1KMT2ANPSR1MAPK1
SCHEMBL21839447 0.71 CASP3 (0.56) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL28564366 0.70 MAPT (0.39) MAPTL3MBTL1CASP3SENP8SENP7

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
CN-110770233-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2022-07-26 CN disclosed
CN-110770233-A Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2020-02-07 CN disclosed