SCHEMBL8399211

SCHEMBL8399211

Cc1csc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
LDHA P00338 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8400517 0.90 SMN1; SMN2 (0.34) MAPT
SCHEMBL8396325 0.88 HDAC6 (0.31) AKR1B1HDAC6TP53
SCHEMBL8400510 0.85 AKR1B1 (0.43) AKR1B1
SCHEMBL8400727 0.85 AKR1B1 (0.38) AKR1B1POLBTSHRHDAC6
SCHEMBL8399708 0.84 AKR1B1 (0.35) AKR1B1TP53MAPT
SCHEMBL8396039 0.83 AKR1A1 (0.42) AKR1B1
SCHEMBL8398137 0.83 RAB9A (0.40) AKR1B1POLBTP53MAPT
SCHEMBL8399160 0.82 AKR1B1 (0.34) AKR1B1POLB
SCHEMBL8399341 0.82 AKR1B1 (0.35) AKR1B1POLB
SCHEMBL8395613 0.81 AKR1B1 (0.36) AKR1B1POLBTSHRMAPT

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