SCHEMBL12469561

SCHEMBL12469561

CCNC(=O)c1c[c]cc2nc(N(CC)C(N)=O)sc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 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
SCHEMBL28832707 0.82 CSNK1D (0.39) IKBKBCHUK
SCHEMBL1842323 0.65 NPC1 (0.52) NPC1HPGD
SCHEMBL15266295 0.64 KMT2A (0.34)
Hydrochloric Acid SCHEMBL1844041 0.64 NPC1 (0.51) NPC1HPGD
SCHEMBL7534511 0.64 ALDH1A1 (0.51)
SCHEMBL1292197 0.62 NCOA1 (0.36)
SCHEMBL7539138 0.62 SMN1; SMN2 (0.48) NPC1HPGD
SCHEMBL7242715 0.61 ALDH1A1 (0.40) HPGD
SCHEMBL7536844 0.61 SIRT1 (0.38) NPC1HPGD
SCHEMBL1292458 0.61 MAOB (0.43)

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-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed