SCHEMBL13617409

SCHEMBL13617409

COC(=O)[C@@H](Cc1c[nH]cn1)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
POLB P06746 4/20 0.40
MAPT P10636 5/20 0.39
PAX8 Q06710 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL10609690 1.00 TDP1 (0.41) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL3843293 0.89 MEN1 (0.43) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL3845182 0.89 MEN1 (0.43) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL1486139 0.85 KLK5 (0.44) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL7276364 0.85 KLK5 (0.44) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL22607996 0.85 GSTP1 (0.35) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL22656637 0.85 TDP1 (0.40) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL22656636 0.85 TDP1 (0.40) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL31270971 0.84 KLK5 (0.42) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL4361738 0.83 POLB (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed