SCHEMBL3128709

SCHEMBL3128709

c1ccc(-c2nc(C3CC[N]CC3)no2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
CASP3 P42574 1/20 0.74
SENP7 Q9BQF6 1/20 0.74
SENP6 Q9GZR1 1/20 0.74
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
USP7 Q93009 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
NR1H4 Q96RI1 2/20 0.49
USP30 Q70CQ3 3/20 0.47
HTT P42858 1/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43

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
SCHEMBL14305118 0.85 POLB (1.00) POLBCASP3SENP7SENP6NPC1
SCHEMBL407318 0.83 USP7 (0.74) POLBCASP3SENP7SENP6NPC1
Hydrochloric Acid SCHEMBL441062 0.81 USP7 (0.72) POLBCASP3SENP7SENP6NPC1
SCHEMBL463261 0.80 POLB (0.68) POLBCASP3SENP7SENP6NPC1
SCHEMBL13135840 0.80 USP7 (0.74) POLBCASP3SENP7SENP6NPC1
SCHEMBL408294 0.79 POLB (0.67) POLBCASP3SENP7SENP6NPC1
SCHEMBL440747 0.79 POLB (0.67) POLBCASP3SENP7SENP6NPC1
SCHEMBL13135838 0.78 USP7 (0.76) POLBCASP3SENP7SENP6NPC1
SCHEMBL5660093 0.77 POLB (0.64) POLBCASP3SENP7SENP6NPC1
SCHEMBL3241118 0.77 POLB (0.63) POLBCASP3SENP7SENP6NPC1

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed