SCHEMBL12643261

SCHEMBL12643261

CC(=O)N1N=C2CCc3c(sc(N)c3C#N)C2C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.43
MAPT P10636 7/20 0.35
KDM4E B2RXH2 6/20 0.35
GAA P10253 6/20 0.35
ALDH1A1 P00352 8/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
HSD17B10 Q99714 5/20 0.34
CASP1 P29466 3/20 0.34
POLB P06746 2/20 0.34
PABPC1 P11940 1/20 0.34
HPGD P15428 5/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
CASP7 P55210 2/20 0.32
PTK2B Q14289 1/20 0.32
ESR2 Q92731 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
SCHEMBL12643259 0.63 BPTF (0.39) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL12643399 0.63 BPTF (0.37) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL21605366 0.61 MAPT (0.44) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL21605400 0.61 MAPT (0.44) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL21605468 0.61 MAPT (0.44) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL2658305 0.60 ALDH1A1 (0.47) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL3421133 0.60 BPTF (1.00) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL21598798 0.59 GAA (0.48) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL12643489 0.59 PLAUR (0.34) BPTFMAPTKDM4EGAAALDH1A1
SCHEMBL12643317 0.59 ADORA1 (0.38) BPTFMAPTKDM4EGAAALDH1A1

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-2011077502-A1 DIHYDROTHIENO[2,3-E]INDAZOLE COMPOUND 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed