SCHEMBL8396594

SCHEMBL8396594

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAAA Q02083 1/20 0.33
MAPT P10636 7/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX3 P56373 1/20 0.32
AKR1B1 P15121 1/20 0.32
GAA P10253 1/20 0.32
TOP2A P11388 1/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 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
SCHEMBL8398041 0.92 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8396245 0.91 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8398060 0.89 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8400564 0.88 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8518212 0.88 AKR1B1 (0.34) SMN1; SMN2NAAAHTTAKR1B1TP53
SCHEMBL8398112 0.88 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8399123 0.87 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8399149 0.86 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8398960 0.86 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8399175 0.85 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1

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