SCHEMBL11087776

SCHEMBL11087776

COC(=O)c1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ABL1 P00519 2/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.51
CSNK2A1 P68400 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
POLB P06746 1/20 0.48
PAX8 Q06710 1/20 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
SCHEMBL3603750 0.88 MAPT (0.55) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL3606683 0.86 CSNK2A1 (0.58) NPC1RAB9ASMN1; SMN2ABL1MEN1
SCHEMBL3615150 0.86 MEN1 (0.55) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL3609767 0.86 PHGDH (0.55) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
Bromide SCHEMBL7142457 0.85 CSNK2A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2ABL1
Hydrochloric Acid SCHEMBL10748142 0.85 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL10748139 0.85 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL11090239 0.85 MAPT (0.51) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL23705337 0.85 NPC1 (0.55) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL11090908 0.85 MAPT (0.50) ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2

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
US-4452985-A 2-Guanyl-4-(substituted phenyl) thiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-05 US disclosed