SCHEMBL8554826

SCHEMBL8554826

Cc1nc(NC(C)(C)C)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 6/20 0.49
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
PIK3CG P48736 1/20 0.43
RAB9A P51151 6/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
DHODH Q02127 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
LCK P06239 2/20 0.41

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 SCHEMBL8554359 0.98 ALDH1A1 (0.49) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL8554355 0.84 PIK3CG (0.43) ALDH1A1HPGDNPC1SMN1; SMN2PIK3CG
SCHEMBL10110823 0.84 GFER (0.49) ALDH1A1HPGDTSHRNPC1SMN1; SMN2
SCHEMBL8554963 0.79 ALDH1A1 (0.55) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL9750642 0.78 MAPT (0.38) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL22750815 0.78 ALDH1A1 (0.53) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL3986998 0.78 NPC1 (0.56) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL3585209 0.76 ALDH1A1 (0.64) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL538349 0.76 LCK (0.63) ALDH1A1HPGDTSHRNPC1PKM
SCHEMBL4172293 0.76 ALDH1A1 (0.52) ALDH1A1NPC1SMN1; SMN2PIK3CGRAB9A

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