SCHEMBL8395302

SCHEMBL8395302

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1SC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 5/20 0.41
AKR1B1 P15121 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8396330 0.90 AKR1A1 (0.44) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8396464 0.89 AKR1A1 (0.46) AKR1A1AKR1B1
SCHEMBL8399162 0.89 AKR1A1 (0.43) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8398956 0.88 AKR1A1 (0.42) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8397916 0.88 AKR1A1 (0.42) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8399080 0.87 SMN1; SMN2 (0.38) AKR1B1SMN1; SMN2
SCHEMBL8396328 0.87 AKR1B1 (0.42) AKR1A1AKR1B1
SCHEMBL8397843 0.86 SMN1; SMN2 (0.37) AKR1B1SMN1; SMN2
SCHEMBL8395597 0.86 SMN1; SMN2 (0.51) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8398112 0.85 SMN1; SMN2 (0.38) AKR1B1SMN1; SMN2

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