SCHEMBL8901037

SCHEMBL8901037

CCCN(O)C(=O)Nc1ccc(SC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.49
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 1/20 0.43
IDO1 P14902 1/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL7615716 0.80 MEN1 (0.56) NOX1ALDH1A1MAPTRAB9ANPC1
SCHEMBL7609575 0.78 NOX1 (0.60) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL7609578 0.77 NOX1 (0.48) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL7612631 0.74 NOX1 (0.51) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL751003 0.74 NAMPT (0.47) NOX1ALDH1A1LMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL8898719 0.73 NOX1 (0.54) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL13370416 0.73 KMT2A (0.65) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL10885421 0.72 HDAC6 (0.63) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13480582 0.71 MAPT (0.67) NOX1ALDH1A1LMNAMAPTRAB9A
SCHEMBL11176488 0.71 NOX1 (0.55) NOX1ALDH1A1LMNAMAPTRAB9A

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
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed