SCHEMBL8713530

SCHEMBL8713530

O=C(O)Cc1csc(Sc2nnc(CO)s2)n1.O=C(O)c1sc(Sc2nnc(CO)s2)nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL8713528 0.90 GABRA5 (0.31) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL8043579 0.87 MAPT (0.35) ALDH1A1MAPT
SCHEMBL8044290 0.85 HSD17B10 (0.45) GABRA5GABRB2HSD17B10LMNAKDM4E
SCHEMBL8046194 0.84 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8043964 0.78 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8709917 0.78 LMNA (0.33) GABRA5GABRB2HSD17B10LMNAKDM4E
SCHEMBL8044307 0.78 HSD17B10 (0.47) GABRA5GABRB2HSD17B10LMNAKDM4E
SCHEMBL8034362 0.77 F2 (0.39) ALDH1A1MAPT
SCHEMBL8044470 0.77 MAPT (0.33) SMN1; SMN2ALDH1A1MAPT
SCHEMBL8047155 0.77 MAPT (0.37) HSD17B10LMNAKDM4ESMN1; SMN2ALDH1A1

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed