SCHEMBL16901554

SCHEMBL16901554

CNC(=O)c1ccc(/C=N/Nc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
HTT P42858 2/20 0.55
NNMT P40261 1/20 0.55
MEN1 O00255 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 1/20 0.47
ESRRG P62508 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
TLR9 Q9NR96 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
SCHEMBL10015138 0.93 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL18786347 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL12588185 0.89 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL27389762 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL26551793 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL13499099 0.80 RAB9A (0.57) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL18135013 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL16450938 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL10025164 0.78 BAZ2B (0.47) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL22644579 0.76 RAB9A (0.54) SMN1; SMN2NPC1RAB9ACDK5CDK5R1

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-2298736-B1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents SOLULINK INC (US) 2015-07-15 EP disclosed