SCHEMBL8659404

SCHEMBL8659404

O=C(O)CCCCCc1nc2c(F)c(F)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1B1 P15121 1/20 0.47
HDAC6 Q9UBN7 2/20 0.44
TBXAS1 P24557 5/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8657232 0.79 AKR1A1 (0.51) AKR1B1
SCHEMBL8660253 0.79 AKR1A1 (0.51) AKR1B1
SCHEMBL8655720 0.77 AKR1A1 (0.52) AKR1B1
SCHEMBL8858934 0.77 AKR1B1 (0.43) HTTSMN1; SMN2AKR1B1HDAC6MAPT
SCHEMBL8858946 0.75 AKR1B1 (0.42) ALOX15HTTSMN1; SMN2AKR1B1HDAC6
SCHEMBL8858937 0.73 AKR1B1 (0.47) SMN1; SMN2AKR1B1MAPTALDH1A1LMNA
SCHEMBL8655865 0.73 AKR1A1 (0.53) AKR1B1
SCHEMBL8400340 0.72 AKR1B1 (0.46) ALOX15HTTSMN1; SMN2AKR1B1MAPT
SCHEMBL24331734 0.72 AKR1B1 (0.52) ALOX15HTTSMN1; SMN2AKR1B1HDAC6
SCHEMBL7835431 0.72 SMN1; SMN2 (0.89) ALOX15HTTSMN1; SMN2MAPTALDH1A1

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-0714893-B1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO (JP) 1998-10-21 EP disclosed
US-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed
EP-0714893-A1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed