SCHEMBL8400334

SCHEMBL8400334

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1sccc1CC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 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
SCHEMBL8396265 0.92 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8396329 0.90 AKR1B1 (0.38) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8399239 0.86 AKR1A1 (0.38) AKR1B1
SCHEMBL8399084 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8398035 0.85 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AAKR1B1MEN1MAPT
SCHEMBL8400309 0.85 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AMEN1TDP1L3MBTL1
SCHEMBL8399202 0.83 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8397851 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8395772 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAKR1B1MEN1TDP1
SCHEMBL8398980 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAKR1B1MEN1TDP1

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