SCHEMBL7007250

SCHEMBL7007250

Nc1ccc(C(S)c2nc3c(C(=O)O)cccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
DHODH Q02127 9/20 0.47

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
SCHEMBL6836939 0.90 PARP1 (0.62) PARP1DHODH
SCHEMBL6841484 0.80 PARP1 (0.62) PARP1DHODH
SCHEMBL6842037 0.79 DHODH (0.44) PARP1KDM4EHPGDDHODH
SCHEMBL828410 0.79 PARP1 (0.61) PARP1KDM4EHPGDDHODH
SCHEMBL2789377 0.76 KDM4E (0.60) PARP1KDM4EHPGDDHODH
SCHEMBL6836933 0.76 PARP1 (0.60) PARP1
SCHEMBL6841345 0.76 PARP1 (0.64) PARP1
SCHEMBL6836775 0.76 PARP1 (0.64) PARP1
SCHEMBL6841885 0.76 PARP1 (0.64) PARP1
SCHEMBL6836754 0.75 PARP1 (0.65) PARP1DHODH

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
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 WO disclosed