SCHEMBL4795503

SCHEMBL4795503

Cc1nc(N(N)C(=O)c2ccc(F)cc2)sc1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
GRM1 Q13255 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.35
MAPT P10636 2/20 0.35
ADCY1 Q08828 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4801351 0.76 GRM1 (0.57) LMNAGRM1GRM5MAPTNPC1
SCHEMBL3340700 0.72 KDM4E (0.56) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7945899 0.71 APP (0.40) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4042164 0.69 PTGS2 (0.42) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14380746 0.66 ALOX5 (0.45) LMNAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL330449 0.65 MAPT (0.53) LMNAPIK3CGMAPTNPC1RAB9A
SCHEMBL28127303 0.65 MAPT (0.53) LMNAPIK3CGMAPTNPC1RAB9A
SCHEMBL4800674 0.64 GRM1 (0.57) LMNAGRM1L3MBTL1MAPTNPC1
SCHEMBL12943444 0.64 PTGS2 (0.53) LMNAPIK3CAL3MBTL1MAPTNPC1
SCHEMBL320589 0.64 PTGS2 (0.54) LMNAMAPTRAB9AALDH1A1PTGS2

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-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed