SCHEMBL6158933

SCHEMBL6158933

NC(=O)N(CCNC(=O)c1ccccc1CNC(=O)C[O])c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.38
KCNA3 P22001 2/20 0.36
KCNK3 O14649 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK8 P45983 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL6158888 0.90 KCNA5 (0.38) KCNA5KCNA3KCNK3MEN1KMT2A
SCHEMBL6158939 0.73 F10 (0.38)
SCHEMBL6264342 0.73 HPGD (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6156971 0.70 MAPK8 (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6617089 0.69 TSHR (0.48) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL6157584 0.68 KCNA5 (0.43) KCNA5KCNA3KCNK3MEN1KMT2A
SCHEMBL16244497 0.67 POLB (0.48) KCNA5MEN1KMT2ALMNA
SCHEMBL6267497 0.67 HPGD (0.51) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6266482 0.66 KMT2A (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6156056 0.65 SLC6A5 (0.47) NPC1RAB9A

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