SCHEMBL13700573

SCHEMBL13700573

O=C(NCCCCNC(=O)ON1C(=O)C2C3C=CC(C3)C2C1=O)ON1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL13700565 0.99 SMN1; SMN2 (0.51) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL13700566 0.99 SMN1; SMN2 (0.51) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL13700574 0.99 SMN1; SMN2 (0.51) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL14363460 0.93 HTT (0.49) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL13700584 0.91 SMN1; SMN2 (0.45) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL13700582 0.89 ALDH1A1 (0.44) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL14363461 0.87 ACHE (0.46) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL13700580 0.83 SMN1; SMN2 (0.45) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL11711381 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL20919927 0.77 ALDH1A1 (0.57) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-20080058501-A1 Method of Producing a Polymer Network GOTTSCHALL KLAUS 2008-03-06 US disclosed
US-20080058501-A1 Method of Producing a Polymer Network GOTTSCHALL KLAUS 2008-03-06 US disclosed
US-7291686-B1 Method of producing polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2007-11-06 US disclosed
US-7291686-B1 Method of producing polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2007-11-06 US disclosed