SCHEMBL7872863

SCHEMBL7872863

Cc1cn(CC(=O)O)c(=O)n(COCc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
TK1 P04183 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL7640992 0.88 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL6283595 0.83 L3MBTL1 (0.50) ALDH1A1KDM4EPTGDR2MEN1KMT2A
SCHEMBL20012332 0.81 ALDH1A1 (0.42) ALDH1A1TK1MEN1KMT2AHPGD
SCHEMBL26271105 0.77 KMT2A (0.45) ALDH1A1KDM4ETK1MEN1KMT2A
SCHEMBL19873745 0.76 MCL1 (0.36) PTGDR2MEN1KMT2AMAPT
SCHEMBL30178343 0.76 MCL1 (0.36) PTGDR2MEN1KMT2AMAPT
SCHEMBL13377755 0.75 ALDH1A1 (0.36) ALDH1A1TK1MEN1KMT2A
SCHEMBL13377767 0.74 ALDH1A1 (0.35) ALDH1A1TK1MEN1KMT2A
SCHEMBL13460706 0.74 ALDH1A1 (0.35) ALDH1A1TK1MEN1KMT2A
SCHEMBL17870790 0.73 CDK9 (0.38) ALDH1A1KDM4EMEN1KMT2AAPEX1

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