SCHEMBL13617947

SCHEMBL13617947

COC(=O)C(Cc1ncc[nH]1)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

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
BCHE P06276 1/20 0.39
MAPT P10636 5/20 0.39
PAX8 Q06710 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAPK1 P28482 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3845409 0.90 MEN1 (0.42) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL4713820 0.79 NPSR1 (0.47) TDP1NPSR1BCHESTK17BSTK17A
SCHEMBL13617409 0.78 TDP1 (0.41) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL10609690 0.78 TDP1 (0.41) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL4734573 0.77 STK17B (0.47) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL3794186 0.76 L3MBTL1 (0.48) TDP1NPSR1BCHEMAPTSTK17B
SCHEMBL12647368 0.76 TBXAS1 (0.49) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL6936727 0.75 KLK5 (0.57) TDP1ATMPOLBMAPTPAX8
SCHEMBL7452177 0.75 KLK5 (0.57) TDP1ATMPOLBMAPTPAX8
SCHEMBL6585454 0.75 TDP1 (0.51) TDP1ATMNPSR1MEN1KMT2A

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