SCHEMBL6158947

SCHEMBL6158947

NC(=O)[C@H](CO)NC(=O)c1ccccc1CNC(=O)C[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.42
HPGD P15428 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PADI1 Q9ULC6 2/20 0.39
PADI3 Q9ULW8 2/20 0.39
PADI4 Q9UM07 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
F2RL1 P55085 1/20 0.36
CTSB P07858 2/20 0.36
CAPN1 P07384 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6156971 0.77 MAPK8 (0.43) HPGDL3MBTL1LMNAGAAKDM4E
SCHEMBL6264342 0.75 HPGD (0.49) HPGDL3MBTL1LMNAGAAKDM4E
SCHEMBL6346326 0.72 MME (0.43) TDP1
SCHEMBL3190128 0.70 PADI1 (0.55) PADI1PADI3PADI4ALDH1A1CA12
SCHEMBL5569820 0.70 PADI1 (0.55) PADI1PADI3PADI4ALDH1A1CA12
SCHEMBL6266482 0.68 KMT2A (0.43) HPGDL3MBTL1LMNAGAATDP1
SCHEMBL5144034 0.68 HDAC3 (0.50) HPGDLMNAKDM4EALDH1A1CHRNB2
SCHEMBL12984129 0.68 CA2 (0.46) HPGDL3MBTL1LMNAGAAKDM4E
SCHEMBL6158888 0.67 KCNA5 (0.38) KCNA5HPGDL3MBTL1LMNAGAA
SCHEMBL1360852 0.67 IL1RN (0.39) IL1RNERAP2ERAP1LNPEP

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