SCHEMBL5586189

SCHEMBL5586189

CCCCCCSc1ncncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR84 Q9NQS5 2/20 0.42
PAK1 Q13153 1/20 0.42
PTGES O14684 2/20 0.40
USP2 O75604 1/20 0.39
HASPIN Q8TF76 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL11821001 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL3691473 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL7055583 0.98 PAK1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL10897324 0.92 USP2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL284354 0.84 GAA (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL10897831 0.83 HPGD (0.39) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL11334284 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL7049219 0.79 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL28590599 0.77 GAA (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL26449578 0.77 KDM4E (0.57) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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-1818347-B1 A POLYURETHANE COMPOSITE, ITS PREPARATION AND USE BAYER IP GMBH (DE) 2013-07-10 EP disclosed
EP-1818347-A1 A POLYURETHANE COMPOSITE, ITS PREPARATION AND USE Bayer MaterialScience AG (DE) 2007-08-15 EP disclosed