SCHEMBL8301353

SCHEMBL8301353

CC(C)(C)OC(=O)NCCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.55
OPRK1 P41145 3/20 0.51
HTR1A P08908 1/20 0.51
DRD3 P35462 1/20 0.51
HTR3A P46098 1/20 0.51
KCNH2 Q12809 1/20 0.51
GHSR Q92847 1/20 0.51
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
OPRM1 P35372 1/20 0.46
CYP1A2 P05177 1/20 0.46
GABRA1 P14867 2/20 0.46

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
SCHEMBL11769344 0.80 TP53 (0.72) TP53MAPTMEN1USP2KMT2A
SCHEMBL7069966 0.80 TP53 (0.64) TP53MAPTMEN1USP2KMT2A
SCHEMBL11802020 0.80 MAPT (0.65) TP53MAPTMEN1USP2KMT2A
SCHEMBL11783865 0.79 TP53 (0.66) TP53MAPTMEN1USP2KMT2A
SCHEMBL8840932 0.77 TP53 (0.69) TP53MAPTMEN1USP2KMT2A
SCHEMBL22769190 0.77 NPSR1 (0.49) TP53MAPTOPRK1KCNH2NPSR1
SCHEMBL11577976 0.77 TP53 (0.65) TP53MAPTMEN1USP2KMT2A
SCHEMBL11789031 0.76 TP53 (0.62) TP53MAPTMEN1USP2KMT2A
SCHEMBL11579072 0.76 TP53 (0.64) TP53MAPTMEN1USP2KMT2A
SCHEMBL11577333 0.76 TP53 (0.64) TP53MAPTMEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726275-B1 Benzodiazepine protein conjugates and their use in benzodiazepine immunoassays BOEHRINGER MANNHEIM GMBH (DE) 1999-01-27 EP disclosed
US-5662911-A USED AS IMMUNOGENS TO OBTAIN ANTIBODIES TO BENZODIAZEPINES BOEHRINGER MANNHEIM GMBH (DE) 1997-09-02 US disclosed
EP-0726275-A1 Benzodiazepine protein conjugates and their use in benzodiazepine immunoassays Roche Diagnostics GmbH (DE) 1996-08-14 EP disclosed