SCHEMBL6157024

SCHEMBL6157024

CCCCC1(CCCC)NSC2=C(C(=O)C(SC)C(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)=C2)N(c2ccccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTSD P07339 3/20 0.30

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
SCHEMBL3832238 0.96 KMT2A (0.39) NR1H4KMT2AATM
SCHEMBL4617149 0.93 NR1H4 (0.35) NR1H4CTSD
SCHEMBL4630507 0.93 NR1H4 (0.39) NR1H4CTSD
SCHEMBL14895557 0.93 NR1H4 (0.42) NR1H4CTSD
SCHEMBL4631606 0.92 NR1H4 (0.35) NR1H4CTSD
SCHEMBL14895745 0.92 NR1H4 (0.33) NR1H4CTSD
SCHEMBL3836011 0.91 NR1H4 (0.34) NR1H4CTSD
SCHEMBL5709100 0.90 NR1H4 (0.40) NR1H4KMT2AATM
SCHEMBL4616597 0.89 NR1H4 (0.43) NR1H4KMT2AATM
SCHEMBL3832617 0.88 NR1H4 (0.39) NR1H4KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed