SCHEMBL5227015

SCHEMBL5227015

CCCCC1(CCCC)CN(c2ccc(NC(=O)NC(C)(C)C)cc2)c2ccc(OCC(=O)N[C@@H](C(=O)OC)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
CTSD P07339 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC10A2 Q12908 2/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
BCL2 P10415 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5227007 1.00 NR1H4 (0.39) NR1H4KMT2AMEN1LMNACTSD
SCHEMBL5222581 0.91 SLC10A2 (0.40) NR1H4CTSDNPC1RAB9ASLC10A2
SCHEMBL5222572 0.91 SLC10A2 (0.40) NR1H4CTSDNPC1RAB9ASLC10A2
SCHEMBL5391816 0.89 NR1H4 (0.41) NR1H4KMT2AMEN1CTSDALDH1A1
SCHEMBL5226995 0.89 NR1H4 (0.41) NR1H4KMT2AMEN1CTSDALDH1A1
SCHEMBL5224147 0.86 NR1H4 (0.41) NR1H4KMT2ACTSDNPC1RAB9A
SCHEMBL5224145 0.86 NR1H4 (0.41) NR1H4KMT2ACTSDNPC1RAB9A
SCHEMBL14559683 0.84 NR1H4 (0.43) NR1H4KMT2AMEN1CTSDNPC1
SCHEMBL14559705 0.79 NR1H4 (0.48) NR1H4SLC10A2POLB
SCHEMBL14559720 0.79 NR1H4 (0.47) NR1H4KMT2AMEN1SLC10A2

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-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-7192945-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed