SCHEMBL1685098

SCHEMBL1685098

Bc1cc2nc(NC(=O)NCC)sc2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.65
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PIK3CD O00329 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL1282482 0.86 ABL1 (0.68) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL13798157 0.83 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL4496509 0.82 NPC1 (0.69) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL14824329 0.78 NPC1 (0.64) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1282877 0.78 ABL1 (0.83) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3763117 0.78 ABL1 (0.67) ABL1PIK3CAPIK3CG
SCHEMBL15260016 0.76 ABL1 (0.59) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL16975342 0.76 ABL1 (0.59) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL6068056 0.76 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3767021 0.76 ABL1 (0.60) ABL1PIK3CAPIK3CG

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
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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