SCHEMBL13798182

SCHEMBL13798182

CCNC(=O)Nc1nc2cc(C)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.69
▸ RAB9A P51151 7/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.69
▸ DYRK1A Q13627 3/20 0.68
▸ ABL1 P00519 7/20 0.59
▸ PTPN1 P18031 1/20 0.52
▸ PTPN7 P35236 1/20 0.52
▸ PTPN12 Q05209 1/20 0.52
▸ PTPN22 Q9Y2R2 1/20 0.52
▸ TP53 P04637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CG P48736 1/20 0.51

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
SCHEMBL14189671 0.89 ABL1 (0.70) NPC1RAB9ASMN1; SMN2DYRK1AABL1
SCHEMBL3664536 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2DYRK1AABL1
SCHEMBL3657208 0.85 DYRK1A (0.69) NPC1RAB9ASMN1; SMN2DYRK1AABL1
SCHEMBL15274383 0.85 DYRK1A (0.74) NPC1RAB9ASMN1; SMN2DYRK1APTPN1
SCHEMBL4496509 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL14824329 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1842324 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2DYRK1AABL1
SCHEMBL130572 0.81 DYRK1A (1.00) NPC1RAB9ASMN1; SMN2DYRK1APTPN7
Hydrochloric Acid SCHEMBL1844043 0.81 NPC1 (0.97) NPC1RAB9ASMN1; SMN2DYRK1AABL1
SCHEMBL13562821 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2DYRK1AABL1

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-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 — — EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 — — WO disclosed
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