SCHEMBL8553256

SCHEMBL8553256

COC(=O)Nc1nc(C)c(C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.59
ALDH1A1 P00352 4/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX5 P09917 1/20 0.50
TSHR P16473 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 2/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46

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
Hydrochloric Acid SCHEMBL8557703 0.98 LCK (0.58) LCKALDH1A1PKMTDP1ALOX5
SCHEMBL8557699 0.85 LCK (0.58) LCKALDH1A1ALOX5TSHRMAPT
SCHEMBL538349 0.84 LCK (0.63) LCKALDH1A1PKMTDP1TSHR
SCHEMBL3585209 0.82 ALDH1A1 (0.64) LCKALDH1A1PKMTDP1TSHR
SCHEMBL8555317 0.81 ALDH1A1 (0.76) ALDH1A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL10871775 0.79 NPC1 (0.54) LCKALDH1A1PKMTDP1TSHR
SCHEMBL7143553 0.79 LCK (0.59) LCKALDH1A1PKMTDP1TSHR
SCHEMBL8554963 0.78 ALDH1A1 (0.55) ALDH1A1PKMTDP1TSHRSMN1; SMN2
SCHEMBL25410224 0.78 RXFP1 (0.77) ALDH1A1PKMTDP1TSHRSMN1; SMN2
SCHEMBL3577082 0.78 ALDH1A1 (0.62) ALDH1A1PKMTDP1TSHRMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639574-B1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD (KR) 1998-06-10 EP disclosed
US-5514643-A FUNGICIDES FOR PLANTS LUCKY LTD. (KR) 1996-05-07 US disclosed
EP-0639574-A1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD. (KR) 1995-02-22 EP disclosed