SCHEMBL8400191

SCHEMBL8400191

CCSc1cccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.39
LTB4R2 Q9NPC1 5/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL8398694 0.91 AKR1B1 (0.40) AKR1B1LTB4R2LMNAGAA
SCHEMBL8399327 0.91 SMN1; SMN2 (0.38) AKR1B1LTB4R2LMNATP53RXFP1
SCHEMBL8396429 0.88 LTB4R2 (0.33) AKR1B1LTB4R2PTGDR2HDAC6
SCHEMBL8399118 0.87 AKR1B1 (0.43) AKR1B1LTB4R2MEN1KMT2APTGDR2
SCHEMBL8399158 0.86 AKR1B1 (0.41) AKR1B1LTB4R2LMNAGAAPTGDR2
SCHEMBL8397923 0.86 AKR1B1 (0.42) AKR1B1LTB4R2LMNATP53RXFP1
SCHEMBL8396406 0.86 AKR1B1 (0.46) AKR1B1LTB4R2LMNAHDAC6
SCHEMBL8399226 0.86 AKR1A1 (0.42) AKR1B1
SCHEMBL8397936 0.86 AKR1B1 (0.48) AKR1B1LMNAGAA
SCHEMBL8396078 0.85 LTB4R2 (0.40) AKR1B1LTB4R2LMNATP53MEN1

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