SCHEMBL13655177

SCHEMBL13655177

O=C(NCCCn1ccnc1)C(=O)NCCCn1ccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 3/20 0.66
NPC1 O15118 1/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
HSD17B10 Q99714 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
LMNA P02545 2/20 0.64
POLB P06746 2/20 0.64
QPCT Q16769 2/20 0.62
GAA P10253 2/20 0.62
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL18544251 0.89 L3MBTL1 (0.69) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL6398857 0.88 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL18317579 0.88 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL935331 0.88 L3MBTL1 (0.59) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL18334805 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL4823052 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL49130 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL18317167 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL18317375 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2
SCHEMBL18317194 0.86 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1NPC1CYP1A2

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
EP-1468032-B1 ALKYLAMINO OXAMIDES AS LOW ODOR NON FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES MOMENTIVE PERFORMANCE MAT INC (US) 2009-10-21 EP disclosed