SCHEMBL16182018

SCHEMBL16182018

C=Cc1ccc(F)c(Cc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
TDP1 Q9NUW8 9/20 0.51
POLB P06746 8/20 0.51
MAPT P10636 6/20 0.51
KMT2A Q03164 10/20 0.49
MEN1 O00255 7/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
PLEC Q15149 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL3493549 0.87 ALDH1A1 (0.55) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3491247 0.86 MAPT (0.54) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3494773 0.83 TDP1 (0.56) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3493776 0.83 ALDH1A1 (0.58) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3490750 0.81 ALDH1A1 (0.55) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3492123 0.81 MAPT (0.57) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL14650893 0.80 MAPT (0.58) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3492779 0.79 MAPT (0.52) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3490623 0.78 KMT2A (0.59) ALDH1A1TDP1POLBMAPTKMT2A
SCHEMBL3494524 0.78 POLB (0.54) ALDH1A1TDP1POLBMAPTKMT2A

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-1908765-B1 THIENOPYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2014-10-22 EP disclosed