SCHEMBL8518212

SCHEMBL8518212

O=C(O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.34
FDFT1 P37268 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
AKR1A1 P14550 3/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL8395613 0.91 AKR1B1 (0.36) AKR1B1AKR1A1ALOX15HTTSMN1; SMN2
SCHEMBL8395480 0.88 AKR1B1 (0.40) AKR1B1AKR1A1ALOX15HTTSMN1; SMN2
SCHEMBL8396414 0.88 AKR1B1 (0.36) AKR1B1AKR1A1ALOX15HTTSMN1; SMN2
SCHEMBL8396594 0.88 SMN1; SMN2 (0.39) AKR1B1HTTSMN1; SMN2TP53NAAA
SCHEMBL8395274 0.86 AKR1B1 (0.37) AKR1B1AKR1A1ALOX15HTTSMN1; SMN2
SCHEMBL8399154 0.85 AKR1B1 (0.35) AKR1B1AKR1A1ALOX15HTTSMN1; SMN2
SCHEMBL8396249 0.85 ALDH1A1 (0.38)
SCHEMBL8400555 0.85 AKR1B1 (0.44) AKR1B1FDFT1
SCHEMBL8399344 0.85 HDAC6 (0.37) AKR1B1HDAC6AKR1A1TP53
SCHEMBL8401608 0.84 AKR1B1 (0.43) AKR1B1FDFT1HDAC6AKR1A1TP53

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