SCHEMBL1123363

SCHEMBL1123363

CCCCc1ccc(COc2ccc(C(=O)Nc3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP7 Q9BQF6 2/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PLK1 P53350 5/20 0.55
PLK3 Q9H4B4 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CASP3 P42574 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
TRPV1 Q8NER1 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51

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
SCHEMBL1123169 0.91 SENP7 (0.61) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL1123608 0.91 SENP7 (0.61) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL1123204 0.85 SENP7 (0.65) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL1123607 0.80 SENP7 (0.61) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL1123026 0.80 SMPD1 (0.59) SENP7MEN1KMT2ANPC1RAB9A
SCHEMBL1123323 0.78 PLK1 (0.64) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL9347607 0.78 SENP7 (0.66) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL19831686 0.77 SENP7 (0.79) SENP7SENP8SENP6NPC1RAB9A
SCHEMBL2294814 0.76 SENP7 (0.74) SENP7SENP8SENP6MEN1KMT2A
SCHEMBL1464667 0.76 PLK1 (0.90) MEN1KMT2APLK1PLK3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed