SCHEMBL6270865

SCHEMBL6270865

CCCCC1(CC)NC(c2ccccc2)C2=C(C=C(OCC(=O)O)C(SC)C2=O)SC1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 11/20 0.37
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL6654462 0.82 SLC10A2 (0.39) SLC10A2MEN1POLBKMT2A
Ammonia Solution, Strong SCHEMBL4637644 0.79 NR1H4 (0.33) SLC10A2KMT2A
SCHEMBL6614520 0.72 ELANE (0.35) SLC10A2
SCHEMBL25193093 0.58 SLC10A2 (0.40) SLC10A2MEN1KMT2A
Pentane SCHEMBL8673099 0.53 ALOX15 (0.77) MEN1KMT2A
SCHEMBL5429755 0.51 L3MBTL1 (0.71) MEN1POLBKMT2A
SCHEMBL8382182 0.51 SLC10A2 (0.58) SLC10A2
SCHEMBL8382184 0.51 SLC10A2 (0.58) SLC10A2
SCHEMBL8380808 0.51 SLC10A2 (0.58) SLC10A2
Hydrochloric Acid SCHEMBL8226155 0.50 SLC10A2 (0.57) SLC10A2

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-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed