SCHEMBL8399248

SCHEMBL8399248

CCCSc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
LDHA P00338 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8400723 0.90 SMN1; SMN2 (0.37) AKR1B1LMNA
SCHEMBL8400726 0.89 AKR1B1 (0.38) AKR1B1LMNA
SCHEMBL8396397 0.87 AKR1B1 (0.38) AKR1B1LTB4R2LMNA
SCHEMBL8395538 0.86 AKR1A1 (0.41) AKR1B1
SCHEMBL8396280 0.86 AKR1B1 (0.40) AKR1B1LTB4R2
SCHEMBL8395254 0.85 AKR1B1 (0.41) AKR1B1LTB4R2LMNA
SCHEMBL8395924 0.85 AKR1B1 (0.36) AKR1B1LDHA
SCHEMBL8396323 0.85 LDHA (0.35) AKR1B1LDHALTB4R2
SCHEMBL8396212 0.85 LTB4R2 (0.39) AKR1B1LTB4R2LMNA
SCHEMBL8397960 0.85 AKR1B1 (0.41) AKR1B1LTB4R2

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