SCHEMBL7867928

SCHEMBL7867928

COc1ccc(N(c2nc(O)c3ncn(CC(=O)O)c3n2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCNE2 O96020 4/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7867772 0.83 HSP90AA1 (0.38) FLT4KDRCCNE2CCNE1CDK2
SCHEMBL7872825 0.81 FLT4 (0.47) PTGS2FLT4KDRHPGD
SCHEMBL9584054 0.75 MEN1 (0.39) CCNE2CCNE1CDK2HPGDKMT2A
SCHEMBL9583267 0.75 MEN1 (0.39) FLT4KDRCCNE2CCNE1CDK2
SCHEMBL9583487 0.75 KMT2A (0.35) CCNE2CCNE1CDK2HPGDKMT2A
SCHEMBL9584080 0.75 KMT2A (0.35) FLT4KDRCCNE2CCNE1CDK2
SCHEMBL9583529 0.75 MEN1 (0.39) CCNE2CCNE1CDK2HPGDKMT2A
SCHEMBL9583068 0.74 HSP90AA1 (0.35) CCNE2CCNE1CDK2HPGDKMT2A
SCHEMBL9584856 0.74 PDE3A (0.33) RAB9ACCNE2CCNE1CDK2KMT2A
SCHEMBL7872971 0.74 FLT4 (0.45) FLT4KDRHPGDKMT2A

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
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