SCHEMBL14200990

SCHEMBL14200990

CCCCCC(C)N(C(=O)CC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
TP53BP1 Q12888 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
OGG1 O15527 1/20 0.36
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL14200978 0.92 RIPK1 (0.39) RIPK1TP53BP1L3MBTL1ALDH1A1MEN1
SCHEMBL14200481 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14200995 0.87 RIPK1 (0.39) RIPK1TP53BP1L3MBTL1OGG1PRSS1
SCHEMBL14229244 0.87 OGG1 (0.40) L3MBTL1OGG1ALDH1A1LMNAPOLB
SCHEMBL14201068 0.87 RIPK1 (0.40) RIPK1TP53BP1L3MBTL1ALDH1A1MEN1
SCHEMBL14200432 0.86 EPHX2 (0.41) RIPK1ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL14200442 0.86 MAPK1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL14200514 0.85 LTB4R2 (0.42) PRSS1CTSGCTRB1CMA1MEN1
SCHEMBL14200470 0.85 REN (0.36) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL14201000 0.84 RIPK1 (0.40) RIPK1TP53BP1L3MBTL1ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed