SCHEMBL27733282

SCHEMBL27733282

C[C@@H](N)c1cccc(NC(=O)CCc2ccc(C(Nc3cccc(C(N)=O)c3)C(=O)O)cc2CN)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 8/20 0.43
PARP10 Q53GL7 7/20 0.43
LMNA P02545 1/20 0.41
PARP14 Q460N5 4/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DPP4 P27487 1/20 0.36
MAPT P10636 2/20 0.36
PARP15 Q460N3 5/20 0.35
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL27733283 1.00 MEN1 (0.44) MEN1KMT2APARP1PARP10LMNA
SCHEMBL28775025 0.85 MEN1 (0.45) MEN1KMT2APARP1PARP10LMNA
SCHEMBL27733278 0.85 PPARG (0.46)
SCHEMBL27733280 0.85 PPARG (0.46)
SCHEMBL27753813 0.78 F7 (0.46) MEN1KMT2APARP1PARP10ALDH1A1
SCHEMBL3856668 0.78 HPGD (0.39) MEN1KMT2APARP1PARP10LMNA
SCHEMBL3857805 0.76 PARP1 (0.39) MEN1KMT2APARP1PARP10PARP14
SCHEMBL3858646 0.73 HPGD (0.41) LMNAHPGD
SCHEMBL3863063 0.72 CA12 (0.41) PARP1PARP10LMNA
SCHEMBL3856730 0.68 HPGD (0.41) MEN1KMT2APARP1PARP10LMNA

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
CN-101389613-B Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO 2011-10-12 CN disclosed
CN-101389613-A Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO (US) 2009-03-18 CN disclosed