SCHEMBL8399048

SCHEMBL8399048

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)cc(F)c2s1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 2/20 0.41
AKR1B1 P15121 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8399466 0.93 SMN1; SMN2 (0.43) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8400110 0.93 SMN1; SMN2 (0.41) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8399067 0.92 AKR1A1 (0.41) AKR1A1AKR1B1
SCHEMBL8395381 0.91 SMN1; SMN2 (0.38) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8395465 0.91 AKR1A1 (0.41) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8395597 0.91 SMN1; SMN2 (0.51) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8401819 0.90 SMN1; SMN2 (0.40) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8397846 0.90 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL8399638 0.90 AKR1B1 (0.44) AKR1A1AKR1B1SMN1; SMN2
SCHEMBL8398184 0.89 SMN1; SMN2 (0.38) AKR1A1AKR1B1SMN1; 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