SCHEMBL6158888

SCHEMBL6158888

NC(=O)N(CCNC(=O)c1ccccc1CNC(=O)C[O])c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 6/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK8 P45983 1/20 0.36
SLC6A5 Q9Y345 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNA3 P22001 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6158933 0.90 KCNA5 (0.38) KCNA5MEN1KMT2AHPGDALDH1A1
SCHEMBL6264342 0.75 HPGD (0.49) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL6156971 0.72 MAPK8 (0.43) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL6158896 0.71 GPR88 (0.39) ALDH1A1
SCHEMBL6157584 0.70 KCNA5 (0.43) KCNA5MEN1KMT2ANPC1RAB9A
SCHEMBL6267497 0.69 HPGD (0.51) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL6266482 0.69 KMT2A (0.43) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL6158915 0.68 GPR88 (0.35) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL6156056 0.68 SLC6A5 (0.47) NPC1RAB9ASLC6A5
SCHEMBL6156568 0.67 CA1 (0.64) MEN1KMT2AALDH1A1LMNAGAA

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-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed