SCHEMBL8209367

SCHEMBL8209367

O=C(O)c1cccc(C=C(Cc2ncc[nH]2)c2nccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 4/20 0.37
KDM4E B2RXH2 3/20 0.37
UNG P13051 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SPR P35270 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
RBBP9 O75884 1/20 0.33
AKR1C3 P42330 1/20 0.33
TBXAS1 P24557 1/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8206760 0.88 KDM4E (0.38) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8207364 0.87 GAA (0.38) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8207251 0.82 MRGPRX4 (0.38) GAASMN1; SMN2HTTKDM4E
SCHEMBL8207539 0.81 PTGDR2 (0.35) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8199698 0.81 FNTA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8206086 0.81 GAA (0.43) GAASMN1; SMN2HTTKDM4EUNG
SCHEMBL8199405 0.80 NTRK1 (0.36) GAASMN1; SMN2HTTKDM4EMEN1
SCHEMBL8205766 0.79 GAA (0.38) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8205725 0.77 EIF4E (0.33) GAASMN1; SMN2RBBP9CYP1A2CYP2D6
SCHEMBL8199294 0.76 GAA (0.35) GAASMN1; SMN2HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed