SCHEMBL9842279

SCHEMBL9842279

CC(C)(C)c1cc(-c2cscn2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
ALOX15 P16050 4/20 0.44
LMNA P02545 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
NR1I2 O75469 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 4/20 0.40
RECQL P46063 3/20 0.40
POLB P06746 3/20 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
SCHEMBL2340718 0.82 CA2 (0.53) ALDH1A1CYP2C9TYRPOLBSMN1; SMN2
SCHEMBL18648678 0.81 POLB (0.51) ALDH1A1ALOX15LMNAHSD17B10HTT
SCHEMBL28481719 0.79 ESR2 (0.46) ALDH1A1ESR2ESR1KDM4EMAPT
SCHEMBL6512405 0.76 ESR2 (0.46) ALDH1A1ALOX15LMNAHSD17B10ESR2
SCHEMBL6516626 0.76 ESR2 (0.44) ALDH1A1LMNAHSD17B10ESR2ESR1
SCHEMBL1176397 0.75 ALDH1A1 (0.67) ALDH1A1ALOX15LMNAHSD17B10HTT
SCHEMBL31146788 0.75 ALDH1A1 (0.67) ALDH1A1ALOX15LMNAHSD17B10HTT
SCHEMBL11124529 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10HTT
SCHEMBL13104330 0.73 KIF11 (0.48) ALDH1A1LMNAHTTKDM4EMAPT
SCHEMBL23869711 0.72 ERN1 (0.53) ALDH1A1ALOX15LMNAHSD17B10HTT

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-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP claimed