SCHEMBL8399217

SCHEMBL8399217

CCCOc1ccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 6/20 0.38
LMNA P02545 5/20 0.37
TP53 P04637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8396400 0.91 MEN1 (0.38) LTB4R2MEN1KMT2AAKR1B1LMNA
SCHEMBL8400194 0.89 AKR1B1 (0.40) AKR1B1LMNAL3MBTL1ALDH1A1
SCHEMBL8396238 0.87 AKR1B1 (0.40) LTB4R2AKR1B1LMNAL3MBTL1GAA
SCHEMBL8399128 0.87 AKR1B1 (0.43) LTB4R2AKR1B1LMNA
SCHEMBL8399348 0.86 LTB4R2 (0.39) LTB4R2MEN1KMT2ALMNATP53
SCHEMBL8399244 0.86 AKR1B1 (0.44) MEN1KMT2AAKR1B1GAA
SCHEMBL8400725 0.86 AKR1B1 (0.42) AKR1B1
SCHEMBL8399618 0.86 AKR1B1 (0.38) LTB4R2MEN1KMT2AAKR1B1L3MBTL1
SCHEMBL8397936 0.85 AKR1B1 (0.48) AKR1B1LMNAGAA
SCHEMBL8398008 0.84 AKR1B1 (0.41) AKR1B1LMNAGAA

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