SCHEMBL6529319

SCHEMBL6529319

COc1cc([N+](=O)[O-])ccc1N(C(=O)c1csc2ccccc12)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.41
CCKAR P32238 3/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM1 P11229 1/20 0.34
KCNMA1 Q12791 1/20 0.34
ATM Q13315 1/20 0.34
PDE4B Q07343 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
SCHEMBL6065542 0.79 CCKBR (0.51) CCKBRCCKAR
SCHEMBL644107 0.79 CCKBR (0.56) CCKBRCCKARMEN1KMT2AALDH1A1
SCHEMBL642941 0.71 CCKBR (0.59) CCKBRCCKAR
SCHEMBL642940 0.71 CCKBR (0.59) CCKBRCCKAR
SCHEMBL644101 0.68 CCKBR (0.70) CCKBRCCKAR
SCHEMBL643979 0.64 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9526481 0.64 CCKBR (0.59) CCKBRCCKARMEN1KMT2AALDH1A1
Nitrazepate SCHEMBL11833501 0.63 LMNA (0.58) CCKBRMEN1KMT2AALDH1A1LMNA
Nitrazepate SCHEMBL29588849 0.63 LMNA (0.58) CCKBRMEN1KMT2AALDH1A1LMNA
SCHEMBL11825099 0.63 LMNA (0.51) CCKBRMEN1KMT2AALDH1A1LMNA

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-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed