SCHEMBL5787100

SCHEMBL5787100

N=C(N)C1C=CC2=CN(CC(=O)c3ccc(OCC(=O)O)cc3)CC2C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
PTPN1 P18031 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5783540 0.90 MAPT (0.35) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL5783451 0.88 TPSAB1 (0.37) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5783767 0.87 RAB9A (0.41) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5784888 0.86 HRH3 (0.33) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5814482 0.85 L3MBTL1 (0.35) ITGB3ITGA2BMAPT
SCHEMBL5787633 0.80 MAPT (0.33) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL5787025 0.79 ALDH1A1 (0.34) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL5782142 0.79 MAPT (0.36) ITGB3ITGA2BMAPT
SCHEMBL5788613 0.79 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5781728 0.78 POLB (0.36) NPC1MAPTRAB9ASMN1; SMN2

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-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP claimed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO claimed