SCHEMBL5509359

SCHEMBL5509359

CC(C)(C)C1CC(=O)CCN1C(=O)O.CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
PKM P14618 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 2/20 0.34
FAAH O00519 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL183757 0.86 MEN1 (0.44) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL20015491 0.86 MEN1 (0.44) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL4167125 0.79 HPGD (0.47) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL4179680 0.79 HPGD (0.44) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL542220 0.78 MEN1 (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1622272 0.77 GAA (0.50) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL183637 0.76 MAPT (0.46) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL29450286 0.76 MAPT (0.46) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL652243 0.76 MEN1 (0.45) KDM4ETHRBMAPTMEN1KMT2A
SCHEMBL19073726 0.76 MEN1 (0.45) KDM4ETHRBMAPTMEN1KMT2A

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
EP-1869011-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-26 EP disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed