SCHEMBL5285215

SCHEMBL5285215

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)CN3C(=O)CSC3=S)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
ALOX15 P16050 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.36
GFER P55789 1/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5302093 0.93 GSK3A (0.41) GSK3AGSK3BALOX15MEN1KMT2A
SCHEMBL5301204 0.83 KMT2A (0.49) ALOX15MEN1KMT2AALDH1A1HSD17B10
SCHEMBL2294482 0.78 NAMPT (0.48) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5295936 0.77 MAPT (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2292264 0.77 NPC1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2295362 0.77 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5302367 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5287647 0.76 KMT2A (0.49) ALOX15MEN1KMT2AALDH1A1HSD17B10
SCHEMBL2292578 0.76 KDM4E (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2294478 0.76 NPC1 (0.48) MEN1KMT2ASMN1; SMN2HTTTP53

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-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed