SCHEMBL8199294

SCHEMBL8199294

COC(=O)c1ccc(C=C(Cc2ncc[nH]2)c2nccs2)cc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
HTT P42858 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AXL P30530 1/20 0.34
SNCA P37840 1/20 0.33
RBBP9 O75884 1/20 0.32
GLO1 Q04760 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
CTSA P10619 1/20 0.32
NEK1 Q96PY6 1/20 0.32
SGK1 O00141 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
KMT2A Q03164 2/20 0.31

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
SCHEMBL8271519 0.92 SLC6A4 (0.37) GAAHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8207539 0.90 PTGDR2 (0.35) GAAHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8205442 0.90 AXL (0.39) GAAHTTKDM4EALDH1A1AXL
SCHEMBL8205766 0.84 GAA (0.38) GAAHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8205725 0.82 EIF4E (0.33) GAASMN1; SMN2RBBP9CTSA
SCHEMBL8206760 0.82 KDM4E (0.38) GAAHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8212069 0.82 FNTA (0.38)
SCHEMBL8210020 0.81 KDM4E (0.32) GAAHTTKDM4EALDH1A1
SCHEMBL8199405 0.80 NTRK1 (0.36) GAAHTTKDM4ESMN1; SMN2KMT2A
SCHEMBL7241553 0.79 KDM4E (0.43) HTTKDM4ESMN1; SMN2SNCAGABRA1

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