SCHEMBL7867908

SCHEMBL7867908

COc1ccc(C(Nc2nc(O)c3ncn(CC(=O)O)c3n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7867774 0.83 HSP90AA1 (0.39) FLT4KDR
SCHEMBL7872820 0.80 HDAC1 (0.48) PTGS2FLT4KDR
SCHEMBL8412821 0.80
SCHEMBL7867928 0.74 PTGS2 (0.41) PTGS2FLT4KDRNPC1RAB9A
SCHEMBL7872974 0.74 HDAC1 (0.47) FLT4KDR
SCHEMBL17617642 0.73 FGFR1 (0.41)
SCHEMBL19770643 0.72 TP53 (0.36)
SCHEMBL18665248 0.70 POLB (0.38)
SCHEMBL17617641 0.69 TLR9 (0.35)
SCHEMBL7872739 0.69 KIF11 (0.36) PTGS2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0672701-B1 PNA-synthesis using a base labile aminoprotecting group HOECHST AG (DE) 1999-07-28 EP disclosed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed