SCHEMBL5148188

SCHEMBL5148188

CC(=O)N(NC(N)=S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 4/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40
PTGES O14684 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL8580840 0.80 ALDH1A1 (0.41) TSHRMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL8174336 0.77 NPC1 (0.55) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL11382303 0.76 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2SMN1; SMN2GAA
SCHEMBL28103257 0.75 MAPT (0.48) NOS1MAPK1TSHRMAPTMAOB
SCHEMBL7035059 0.73 MAPK1 (0.53) NOS1MAPK1TSHRMAPTALDH1A1
SCHEMBL27793083 0.72 RAB9A (0.52) MAPTALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL11812108 0.71 ALDH1A1 (0.50) NOS1MAPK1TSHRMAPTMAOB
SCHEMBL874309 0.71 MAPK1 (0.55) NOS1MAPK1TSHRMAPTALDH1A1
SCHEMBL2103568 0.71 MAPK1 (0.55) NOS1MAPK1TSHRMAPTALDH1A1
SCHEMBL8665732 0.70 ALDH1A1 (0.50) NOS1MAPK1TSHRMAPTALDH1A1

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed