SCHEMBL8399618

SCHEMBL8399618

CCCSc1ccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.38
LDHA P00338 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTB4R2 Q9NPC1 3/20 0.32
GAA P10253 1/20 0.31
MAOA P21397 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
SCHEMBL8395357 0.91 SMN1; SMN2 (0.36) AKR1B1MEN1KMT2ANPC1L3MBTL1
SCHEMBL8400507 0.89 AKR1B1 (0.40) AKR1B1GAA
SCHEMBL8396238 0.87 AKR1B1 (0.40) AKR1B1L3MBTL1LTB4R2GAA
SCHEMBL8399128 0.87 AKR1B1 (0.43) AKR1B1LTB4R2
SCHEMBL8396323 0.86 LDHA (0.35) AKR1B1LDHALTB4R2
SCHEMBL8399244 0.86 AKR1B1 (0.44) AKR1B1MEN1KMT2AGAA
SCHEMBL8395538 0.86 AKR1A1 (0.41) AKR1B1
SCHEMBL8399217 0.86 LTB4R2 (0.42) AKR1B1MEN1KMT2AL3MBTL1LTB4R2
SCHEMBL8397936 0.85 AKR1B1 (0.48) AKR1B1GAA
SCHEMBL8395765 0.84 AKR1B1 (0.48) AKR1B1MAOA

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