SCHEMBL7798882

SCHEMBL7798882

CC1[CH]C(=O)N(c2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
G6PD P11413 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.39
ALOX5 P09917 2/20 0.39
MAOA P21397 1/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL4 Q96JB6 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7065588 0.72 ALOX5 (0.42) GAAG6PDL3MBTL1MGLLALOX5
SCHEMBL28101301 0.72 LOX (0.37) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL6731377 0.71 GAA (0.41) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL8649720 0.71 ALDH1A1 (0.43) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL8089001 0.69 ALOX5 (0.44) GAAG6PDL3MBTL1ALOX5MEN1
Piperazine SCHEMBL28060958 0.67 ADRB1 (0.40) GAAG6PDL3MBTL1ALOX5LOX
SCHEMBL17290760 0.67 ALDH1A1 (0.50) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL11862437 0.66 GAA (0.37) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL11048264 0.65 GAA (0.47) GAAG6PDL3MBTL1ALOX5MAOA
SCHEMBL10961845 0.63 GAA (0.41) GAAG6PDL3MBTL1ALOX5MEN1

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-1137391-A1 METHOD FOR TREATING HAIR Novozymes A/S (DK) 2001-10-04 EP disclosed
WO-2000032158-A1 METHOD FOR TREATING HAIR NOVOZYMES A/S (DK) 2000-06-08 WO disclosed