SCHEMBL11025517

SCHEMBL11025517

O=C1N=c2ccccc2=C1Sc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
PKM P14618 2/20 0.35
MAPK10 P53779 2/20 0.35
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
MAPK14 Q16539 1/20 0.32
TGM2 P21980 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
SCHEMBL8102526 0.72 MAP2K7 (0.42) CDC25ACDC25BMAPTALDH1A1NPSR1
SCHEMBL27291673 0.69 MAPT (0.40) MAPTALDH1A1NPSR1PKMMAPK10
SCHEMBL27735556 0.65 MAPT (0.40) MAPTALDH1A1NPSR1PKMMAPK10
SCHEMBL166516 0.65 NLRP3 (0.41) MAPTALDH1A1NPSR1PKMMAPK10
SCHEMBL29161382 0.64 MAPT (0.54) MAPTALDH1A1NPSR1PKMMAPK10
Fluoride SCHEMBL28331025 0.64 MAPT (0.39) MAPTALDH1A1NPSR1PKMMAPK10
SCHEMBL775694 0.64 MAOA (0.50) PTPN1CDC25ACDC25BMAPTALDH1A1
SCHEMBL11980111 0.64 MAOA (0.50) PTPN1CDC25ACDC25BMAPTALDH1A1
SCHEMBL576260 0.62 MEN1 (0.48) PTPN1CDC25ACDC25BMAPTALDH1A1
SCHEMBL13583467 0.62 MAPK14 (0.35) ALDH1A1NPSR1MAPK10MEN1KMT2A

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
US-4451475-A Cyclic sulphenamide compounds, their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed