SCHEMBL8397960

SCHEMBL8397960

O=C(O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
MDM2 Q00987 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKR1A1 P14550 2/20 0.33
MAPT P10636 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.32
BCL2A1 Q16548 1/20 0.32

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
SCHEMBL8395254 0.93 AKR1B1 (0.41) AKR1B1HDAC6MAOAMAOBMAPT
SCHEMBL8400340 0.91 AKR1B1 (0.46) AKR1B1AKR1A1MAPT
SCHEMBL8396280 0.91 AKR1B1 (0.40) AKR1B1HDAC6AKR1A1MAPTLTB4R2
SCHEMBL8399205 0.91 AKR1B1 (0.40) AKR1B1HDAC6AKR1A1
SCHEMBL8398003 0.90 AKR1B1 (0.38) AKR1B1HDAC6
SCHEMBL8518906 0.88 AKR1B1 (0.40) AKR1B1HDAC6LTB4R2
SCHEMBL8396397 0.88 AKR1B1 (0.38) AKR1B1MAPTLTB4R2
SCHEMBL8399186 0.88 USP2 (0.40) AKR1B1AKR1A1MAPTLTB4R2
SCHEMBL8400726 0.88 AKR1B1 (0.38) AKR1B1HDAC6MAPT
SCHEMBL8398980 0.87 SMN1; SMN2 (0.41) AKR1B1MAPT

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