SCHEMBL8207364

SCHEMBL8207364

O=C(O)c1cc(C=C(Cc2ncc[nH]2)c2nccs2)cc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2B P41595 1/20 0.36
HTT P42858 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NTRK1 P04629 1/20 0.33
CTSA P10619 1/20 0.33
PLA2G4A P47712 1/20 0.33
DHODH Q02127 1/20 0.33
MAPK8 P45983 1/20 0.32
SLC6A7 Q99884 1/20 0.32
CES1 P23141 1/20 0.32
KAT6A Q92794 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
SCHEMBL8205766 0.90 GAA (0.38) GAASMN1; SMN2HTR2BHTTKDM4E
SCHEMBL8209367 0.87 GAA (0.39) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8207365 0.83 FNTA (0.40) ALDH1A1MEN1KMT2A
SCHEMBL8207539 0.83 PTGDR2 (0.35) GAASMN1; SMN2HTR2BHTTKDM4E
SCHEMBL8206760 0.78 KDM4E (0.38) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8199294 0.77 GAA (0.35) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL7241462 0.77 CYP19A1 (0.41)
SCHEMBL7241459 0.77 CYP19A1 (0.41)
SCHEMBL8199405 0.76 NTRK1 (0.36) GAASMN1; SMN2HTTKDM4EMEN1
SCHEMBL8205725 0.75 EIF4E (0.33) GAASMN1; SMN2HTR2BCTSA

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