SCHEMBL10858384

SCHEMBL10858384

O=C(O)c1ccccc1N1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
MYC P01106 4/20 0.45
NR4A1 P22736 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
MLYCD O95822 1/20 0.42
ENPP2 Q13822 2/20 0.41
BRD4 O60885 1/20 0.40
PTPN1 P18031 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL225760 0.90 ALDH1A1 (0.50) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL8048603 0.80 ALDH1A1 (0.61) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL2492855 0.77 NPC1 (0.68) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL29467270 0.77 NPC1 (0.68) ALDH1A1ALOX15MYCNR4A1L3MBTL1
Nesosteine SCHEMBL1525263 0.77 ALDH1A1 (0.55) ALDH1A1ALOX15L3MBTL1DPP4
Nesosteine SCHEMBL11066850 0.75 ALDH1A1 (0.54) ALDH1A1ALOX15L3MBTL1DPP4
SCHEMBL227731 0.75 NPC1 (0.71) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL1715918 0.75 NPC1 (0.71) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL26134988 0.75 NPC1 (0.70) ALDH1A1ALOX15NPC1
SCHEMBL3808106 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15MYCNR4A1POLB

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-4575496-A ANTIBIOTICS; SELECTIVE THERAPY OF RESOIRATORY TRACT CAMILLO CORVI S.P.A. (IT) 1986-03-11 US claimed
US-4575496-A ANTIBIOTICS; SELECTIVE THERAPY OF RESOIRATORY TRACT CAMILLO CORVI S.P.A. (IT) 1986-03-11 US disclosed