SCHEMBL9528898

SCHEMBL9528898

N#Cc1ccc(NC(=S)NCc2ccco2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.70
LMNA P02545 4/20 0.70
HTT P42858 4/20 0.69
HPGD P15428 4/20 0.69
GPR174 Q9BXC1 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.65
MAPT P10636 7/20 0.63
GAA P10253 5/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 1/20 0.63
BLM P54132 1/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALOX12 P18054 1/20 0.61
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL14433848 0.84 RAB9A (0.69) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL5506600 0.83 ALDH1A1 (0.78) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL5445694 0.83 ALDH1A1 (1.00) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL13805297 0.82 ALDH1A1 (1.00) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL22621288 0.82 GPR174 (1.00) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL3634965 0.79 SMN1; SMN2 (1.00) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL22129202 0.78 KDM4E (0.54) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL11273843 0.77 POLB (1.00) ALDH1A1LMNAHTTHPGDGPR174
SCHEMBL9529930 0.77 MAOB (0.71) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL5448009 0.77 KMT2A (0.79) ALDH1A1LMNAHTTHPGDGPR174

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed