SCHEMBL1905147

SCHEMBL1905147

C1CCC1.C=C(C)C(N)=O.C=C(C)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
LMNA P02545 3/20 0.44
BLM P54132 2/20 0.44
ALOX15 P16050 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A1 P00352 5/20 0.36
LDHA P00338 2/20 0.33
LDHB P07195 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRBN Q96SW2 1/20 0.32
OR51E2 Q9H255 1/20 0.31
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.30
FGFR4 P22455 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Cyclohexane SCHEMBL2887999 1.00 TDP1 (0.80) TDP1LMNABLMALOX15PMP22
Cyclohexane SCHEMBL347610 1.00 TDP1 (0.80) TDP1LMNABLMALOX15PMP22
Cyclohexane SCHEMBL10642803 0.97 TDP1 (0.75) TDP1LMNABLMALOX15PMP22
SCHEMBL14870 0.89
SCHEMBL2128293 0.89 TDP1 (1.00) TDP1LMNABLMALOX15PMP22
SCHEMBL5708652 0.89 TDP1 (1.00) TDP1LMNABLMALOX15PMP22
Cyclohexane SCHEMBL11172203 0.87 TDP1 (0.60) TDP1LMNABLMALOX15PMP22
Methyl Alcohol SCHEMBL8853832 0.86
Acetamide SCHEMBL10598982 0.86 TDP1 (0.92) TDP1LMNABLMALOX15PMP22
Ammonia Solution, Strong SCHEMBL21838781 0.86 TDP1 (0.92) TDP1LMNABLMALOX15PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544993-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER Polyintell (FR) 2013-01-16 EP disclosed
WO-2011110994-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2011-09-15 WO disclosed
EP-2324357-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST Polyintell (FR) 2011-05-25 EP disclosed
EP-2201052-A1 MOLECULARLY IMPRINTED POLYMERS FOR THE RECOGNITION OF GLUTATHIONE GSH, METHODS FOR PREPARING SAME AND USES THEREOF Polyintell (FR) 2010-06-30 EP disclosed
WO-2010029504-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST POLYINTELL (FR) 2010-03-18 WO disclosed
WO-2009056716-A1 MOLECULARLY IMPRINTED POLYMERS FOR THE RECOGNITION OF GLUTATHIONE GSH, METHODS FOR PREPARING SAME AND USES THEREOF POLYINTELL (FR) 2009-05-07 WO disclosed
EP-1910422-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF Polyintell (FR) 2008-04-16 EP disclosed
WO-2007004197-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF POLYINTELL (FR) 2007-01-11 WO disclosed