SCHEMBL8396282

SCHEMBL8396282

O=C(O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
LTB4R2 Q9NPC1 6/20 0.39
PKM P14618 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HDAC6 Q9UBN7 2/20 0.34
NPC1 O15118 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8400428 0.90 AKR1B1 (0.41) AKR1B1LTB4R2KMT2AMEN1HDAC6
SCHEMBL8400332 0.89 RAB9A (0.43) AKR1B1LTB4R2KMT2AMEN1HDAC6
SCHEMBL8398067 0.89 AKR1B1 (0.46) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8397855 0.89 AKR1B1 (0.40) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8399196 0.88 SMN1; SMN2 (0.40) AKR1B1LTB4R2KMT2AMEN1HDAC6
SCHEMBL8399270 0.88 AKR1B1 (0.40) AKR1B1LTB4R2KMT2AMEN1HDAC6
SCHEMBL8395578 0.87 AKR1B1 (0.39) AKR1B1LTB4R2KMT2AMEN1HDAC6
SCHEMBL8399142 0.86 AKR1B1 (0.41) AKR1B1LTB4R2PKMKMT2AMEN1
SCHEMBL8396288 0.86 AKR1B1 (0.38) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8399147 0.86 MTNR1A (0.39) AKR1B1KMT2ANPC1PTGDR2

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