SCHEMBL8398176

SCHEMBL8398176

COc1cccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
F2 P00734 2/20 0.37
MEN1 O00255 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
SCHEMBL8396078 0.92 LTB4R2 (0.40) AKR1B1KMT2ALTB4R2MEN1
SCHEMBL8398076 0.90 SMN1; SMN2 (0.39) AKR1B1MTNR1AMTNR1BPTGDR2LTB4R2
SCHEMBL8400194 0.90 AKR1B1 (0.40) AKR1B1PTGDR2
SCHEMBL8399118 0.89 AKR1B1 (0.43) AKR1B1KMT2APTGDR2LTB4R2MEN1
SCHEMBL8399115 0.88 MTNR1A (0.40) MTNR1AMTNR1BKMT2APTGDR2LTB4R2
SCHEMBL8397923 0.88 AKR1B1 (0.42) AKR1B1KMT2ALTB4R2F2MEN1
SCHEMBL8397936 0.88 AKR1B1 (0.48) AKR1B1
SCHEMBL8399158 0.86 AKR1B1 (0.41) AKR1B1PTGDR2LTB4R2
SCHEMBL8396406 0.86 AKR1B1 (0.46) AKR1B1LTB4R2
SCHEMBL8398031 0.86 AKR1B1 (0.42) AKR1B1KMT2ALTB4R2

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