SCHEMBL8399118

SCHEMBL8399118

O=C(O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.43
LTB4R2 Q9NPC1 6/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL8397936 0.93 AKR1B1 (0.48) AKR1B1
SCHEMBL8396406 0.91 AKR1B1 (0.46) AKR1B1LTB4R2NPC1
SCHEMBL8397923 0.91 AKR1B1 (0.42) AKR1B1LTB4R2MEN1KMT2ANPC1
SCHEMBL8398031 0.91 AKR1B1 (0.42) AKR1B1LTB4R2PKMKMT2A
SCHEMBL8399158 0.89 AKR1B1 (0.41) AKR1B1LTB4R2PKMPTGDR2
SCHEMBL8398176 0.89 AKR1B1 (0.40) AKR1B1LTB4R2MEN1KMT2APTGDR2
SCHEMBL8398694 0.89 AKR1B1 (0.40) AKR1B1LTB4R2
SCHEMBL8399128 0.89 AKR1B1 (0.43) AKR1B1LTB4R2PTGDR2
SCHEMBL8396078 0.88 LTB4R2 (0.40) AKR1B1LTB4R2MEN1KMT2A
SCHEMBL8400241 0.88 SMN1; SMN2 (0.42) AKR1B1LTB4R2NPC1

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