SCHEMBL1292277

SCHEMBL1292277

CCNC(=O)Nc1nc2c(Br)c(Br)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.43
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32

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
SCHEMBL1282137 0.68 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14097679 0.68 ABL1 (0.59) ABL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL14097682 0.65 ABL1 (0.60) ABL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14097706 0.65 ABL1 (0.49) ABL1PIK3CA
SCHEMBL13480591 0.64 GAA (0.59) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL443685 0.64 EPHX2 (0.50) SMN1; SMN2IDO1GAAKDM4EALDH1A1
SCHEMBL14097684 0.63 ABL1 (0.41) ABL1
SCHEMBL8368027 0.62 SMN1; SMN2 (0.41) ABL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL15196110 0.61 EPHX2 (0.50) ABL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL19279096 0.61 GAA (0.51) NPC1RAB9AGAAALDH1A1LMNA

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
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