SCHEMBL8398153

SCHEMBL8398153

CCOc1cccc(NCc2nc3c(F)c(F)ccc3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.44
GPX4 P36969 1/20 0.40
HDAC4 P56524 2/20 0.39
MEF2D Q14814 2/20 0.39
EP300 Q09472 1/20 0.37
PIM1 P11309 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
RPS6KA2 Q15349 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.36
TSHR P16473 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL8398181 0.85 AKR1B1 (0.44) SYKGPX4HDAC4MEF2DRPS6KA2
SCHEMBL8396283 0.83 SYK (0.45) SYKGPX4HDAC4MEF2DEP300
SCHEMBL8395622 0.83 KDM4E (0.41) HDAC4MEF2DPIM1MAPTKDM4E
SCHEMBL8399152 0.83 ALDH1A1 (0.40) SYKGPX4HDAC4MEF2DEP300
SCHEMBL8398019 0.82 GAA (0.43) SYKPIM1MAPTKDM4ELMNA
SCHEMBL8395768 0.81 MEN1 (0.35) HDAC4MEF2DPIM1MAPTKDM4E
SCHEMBL8398085 0.80 AKR1B1 (0.44) PIM1MAPTKDM4ELMNAALDH1A1
SCHEMBL8398879 0.77 AKR1B1 (0.37) PIM1MAPTKDM4ELMNAALDH1A1
SCHEMBL8399257 0.76 SYK (0.44) SYKGPX4HDAC4MEF2DEP300
SCHEMBL8399104 0.75 MAPT (0.39) PIM1MAPTKDM4ELMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed