SCHEMBL6137987

SCHEMBL6137987

N=C(N)N(CC(=S)Cc1ccccc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 1/20 0.48
AGER Q15109 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GRIN2B Q13224 1/20 0.39
PLAU P00749 1/20 0.39
HTT P42858 1/20 0.38
CXCR3 P49682 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
CNR2 P34972 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL6137977 0.81 AGER (0.54) L3MBTL1MAPTAGERNPC1RAB9A
SCHEMBL6137934 0.76 SCN5A (0.49) L3MBTL1MAPTAGERNPC1RAB9A
SCHEMBL6137989 0.74 AGER (0.42) L3MBTL1MAPTAGERNPC1RAB9A
SCHEMBL7332659 0.72 BLM (0.42) L3MBTL1MAPTTDP1ALDH1A1GRIN2B
SCHEMBL6137702 0.68 MEN1 (0.47) L3MBTL1MAPTNPC1RAB9AALDH1A1
SCHEMBL199869 0.66 L3MBTL1 (1.00) L3MBTL1MAPTTDP1NPC1RAB9A
SCHEMBL4066365 0.66 MAPT (0.61) L3MBTL1MAPTTDP1NPC1RAB9A
SCHEMBL29209362 0.65 L3MBTL1 (0.60) L3MBTL1MAPTTDP1NPC1RAB9A
SCHEMBL6137843 0.65 TDP1 (0.45) MAPTTDP1NPC1RAB9AGRIN2B
SCHEMBL6137828 0.65 ACHE (0.56) L3MBTL1TDP1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed