SCHEMBL8400727

SCHEMBL8400727

Cc1csc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.38
HDAC6 Q9UBN7 1/20 0.32
AKR1A1 P14550 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL8395485 0.90 SMN1; SMN2 (0.34) AKR1B1LMNA
SCHEMBL8399252 0.88 AKR1B1 (0.36) AKR1B1HDAC6LMNAGAA
SCHEMBL8396039 0.85 AKR1A1 (0.42) AKR1B1AKR1A1
SCHEMBL8399211 0.85 AKR1B1 (0.33) AKR1B1HDAC6POLBTSHR
SCHEMBL8397943 0.85 AKR1B1 (0.38) AKR1B1HDAC6LMNAGAAPOLB
SCHEMBL8396280 0.84 AKR1B1 (0.40) AKR1B1HDAC6AKR1A1
SCHEMBL8400418 0.83 RAB9A (0.40) AKR1B1
SCHEMBL8397720 0.82 AKR1B1 (0.38) AKR1B1HDAC6AKR1A1LMNAPOLB
SCHEMBL8400716 0.82 AKR1B1 (0.38) AKR1B1HDAC6LMNAPOLB
SCHEMBL8395838 0.81 AKR1B1 (0.45) AKR1B1AKR1A1LMNAPOLB

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