SCHEMBL8399102

SCHEMBL8399102

Fc1ccc2nc(CNc3ccccc3Cl)sc2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ROCK2 O75116 1/20 0.35
GRK2 P25098 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
EPHB3 P54753 1/20 0.34
DHFR P00374 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 1/20 0.34
GSK3B P49841 1/20 0.33
PDE2A O00408 1/20 0.33
SCD O00767 2/20 0.33
ERBB2 P04626 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 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
SCHEMBL8399168 0.88 L3MBTL1 (0.38) MEN1KMT2ATRPM5MAPTGSK3B
SCHEMBL8399083 0.86 GSK3B (0.34) KMT2ATRPM5MAPTGSK3BERBB2
SCHEMBL8398164 0.85 ADRA2C (0.40) MEN1KMT2AADRA2BADRA2CMAPT
SCHEMBL8397939 0.82 ADRA1D (0.40) MEN1KMT2AADRA2BADRA2CMAPT
SCHEMBL8395190 0.81 L3MBTL1 (0.44) MEN1KMT2AROCK2GRK2MAPT
SCHEMBL8399066 0.81 CYP1A2 (0.35) MEN1KMT2ADHFRMAPTIDO1
SCHEMBL8395800 0.81 AKR1B1 (0.41) MEN1KMT2AADRA2BADRA2CROCK2
SCHEMBL8399428 0.80 MEN1 (0.43) MEN1KMT2AROCK2GRK2TRPM5
SCHEMBL8398186 0.80 AKR1B1 (0.39) MEN1KMT2AADRA2BADRA2CROCK2
SCHEMBL8400556 0.79 AKR1B1 (0.45)

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