SCHEMBL12469595

SCHEMBL12469595

CCNC(=O)Nc1nc2c[c]cc(-c3ccccn3)c2s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ABL1 P00519 9/20 0.47

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
SCHEMBL19133331 0.88 ABL1 (0.46) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282602 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1707956 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739672 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL220474 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282358 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739706 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL13269595 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1682897 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL19159716 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 WO disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
WO-2012045194-A1 BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2012-04-12 WO disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed