SCHEMBL8399103

SCHEMBL8399103

COc1ccccc1NCc1nc2cc(F)cc(F)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
AKR1B1 P15121 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK1D P48730 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 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
SCHEMBL8395524 0.85 AKR1B1 (0.43) L3MBTL1AKR1B1MAPTKMT2AHTT
SCHEMBL8396268 0.84 AKR1B1 (0.41) AKR1B1MAPTMEN1KMT2AHTT
SCHEMBL8396103 0.83 AKR1B1 (0.41) AKR1B1MAPTHTTALDH1A1RAB9A
SCHEMBL8399286 0.82 AKR1B1 (0.39) AKR1B1MAPTMEN1KMT2AALDH1A1
SCHEMBL8395190 0.82 L3MBTL1 (0.44) L3MBTL1MAPTMEN1KMT2AHTT
SCHEMBL8395800 0.82 AKR1B1 (0.41) AKR1B1MEN1KMT2AROCK2GRK2
SCHEMBL8395318 0.81 AKR1B1 (0.46) L3MBTL1AKR1B1MAPTMEN1KMT2A
SCHEMBL8399351 0.79 AKR1B1 (0.46) AKR1B1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8395489 0.77 AKR1B1 (0.39) L3MBTL1AKR1B1MAPTMEN1KMT2A
SCHEMBL8399294 0.76 AKR1B1 (0.39) AKR1B1MAPTALDH1A1KDM4E

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