SCHEMBL8395190

SCHEMBL8395190

COc1ccccc1NCc1nc2ccc(F)c(F)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GSK3B P49841 1/20 0.37
CHRM2 P08172 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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 0.85 L3MBTL1 (0.38) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8398164 0.84 ADRA2C (0.40) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL8399083 0.83 GSK3B (0.34) MAPTKMT2AALDH1A1HTTNPC1
SCHEMBL8399103 0.82 L3MBTL1 (0.43) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8397939 0.82 ADRA1D (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8399102 0.81 MEN1 (0.36) MAPTMEN1KMT2AROCK2GRK2
SCHEMBL8395550 0.81 L3MBTL1 (0.44) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8395318 0.80 AKR1B1 (0.46) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL8399066 0.78 CYP1A2 (0.35) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL8397890 0.76 RAB9A (0.37) L3MBTL1MAPTALDH1A1NPC1RAB9A

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