SCHEMBL10701774

SCHEMBL10701774

COc1ccc(-c2nc3cc4c(cc3n2C)N(C)C(=O)C4)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
PARP1 P09874 1/20 0.41
HTT P42858 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
DUSP3 P51452 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
CHEK2 O96017 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10691731 0.86 TRIM24 (0.44) TRIM24CDC25ACDC25BCDC25CDUSP3
SCHEMBL10698922 0.85 HDAC1 (0.42) PARP1KMT2AGAACNR2TDP1
SCHEMBL10700479 0.85 ALDH1A1 (0.46) PARP1KMT2AGAACNR2TDP1
SCHEMBL10695099 0.84 MEN1 (0.48) TRIM24CDC25ACDC25BCDC25CDUSP3
SCHEMBL10699753 0.82 KDM4E (0.41) PARP1KMT2AGAACNR2TDP1
SCHEMBL10698291 0.81 HDAC1 (0.42) PARP1GAACNR2CHEK2ALDH1A1
SCHEMBL10694299 0.78 CYP11B1 (0.54) TRIM24CYP1A2CYP11B1CYP11B2
SCHEMBL10699168 0.76 SLC2A1 (0.49) PARP1HTTKMT2AGAAMEN1
SCHEMBL10697210 0.74 CA12 (0.51) TRIM24HTTKMT2AGAAMEN1
SCHEMBL10700878 0.74 POLB (0.40) PARP1KMT2AGAAMEN1CHEK2

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed