SCHEMBL2329960

SCHEMBL2329960

CC(O)Sc1nnc(S)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
PTGS1 P23219 1/20 0.32
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2322319 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2PTGS1NPC1ALOX15
SCHEMBL11617926 0.83 NPC1 (0.43) ALDH1A1SMN1; SMN2PTGS1NPC1ALOX15
SCHEMBL8770476 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PTGS1NPC1ALOX15
SCHEMBL19675508 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL1959315 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL16168916 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28738898 0.77 GAA (0.44) ALDH1A1SMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL20681834 0.76 NPC1 (0.39) ALDH1A1SMN1; SMN2PTGS1NPC1ALOX15
SCHEMBL2117230 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL31598682 0.75 FBP1 (0.52) ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110210007-A1 ZINCATE ZINC PLATING BATH YUKEN INDUSTRY CO., LTD. (JP) 2011-09-01 US disclosed
EP-2357268-A1 ZINCATE ZINC PLATING BATH Yuken Industry Co., Ltd. (JP) 2011-08-17 EP disclosed