SCHEMBL6819929

SCHEMBL6819929

CCc1nn(C)c(C(=O)O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 7/20 0.35
LMNA P02545 3/20 0.33
ATM Q13315 1/20 0.33
RARG P13631 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL27898717 0.86 SMN1; SMN2 (0.47) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL6820020 0.85 NPC1 (0.44) MAPTNPC1RAB9AGABRPGABRD
SCHEMBL19616038 0.85 POLB (0.39) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL27533617 0.84 LMNA (0.35) MAPTPOLBL3MBTL1NPC1SMN1; SMN2
SCHEMBL29291196 0.80 POLB (0.35) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL10427543 0.80 KMT2A (0.41) MAPTL3MBTL1TDP1NPC1SMN1; SMN2
SCHEMBL24553584 0.78 L3MBTL1 (0.39) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL15825839 0.78 GAA (0.43) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL4768937 0.78 RAB9A (0.47) MAPTPOLBL3MBTL1TDP1NPC1
SCHEMBL29732371 0.78 POLB (0.39) MAPTPOLBL3MBTL1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415738-C Pyrazole contained diheterocyclic compound, its preparation and use UNIV ZHEJIANG TECHNOLOGY (CN) 2008-09-03 CN disclosed
CN-1300138-C Diheterocyclic compound, its preparing method and use UNIV ZHEJIANG POLYTECHNIC (CN) 2007-02-14 CN disclosed
CN-1288149-C Double heterocyclic compound containing pyrazole and pyrazole ketone, preparing method and its use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-12-06 CN disclosed
CN-1648125-A Heterocyclic compound containing double pyrazole, preparing method and its use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-08-03 CN disclosed
CN-1648123-A Double heterocyclic compound containing pyrazole and benzimidazole, preparing method and its use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-08-03 CN disclosed
CN-1648124-A Double heterocyclic compound containing pyrazole and pyrazole ketone, preparing method and its use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-08-03 CN disclosed
CN-1644582-A Pyrazole contained diheterocyclic compound, its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-07-27 CN disclosed
CN-1640875-A Diheterocyclic compound, its preparing method and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-07-20 CN disclosed
WO-2004073610-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-09-02 WO disclosed