SCHEMBL8400564

SCHEMBL8400564

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSPO P30536 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.91 SMN1; SMN2 (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL8396249 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL8396245 0.90 SMN1; SMN2 (0.40) ALDH1A1KDM4ETSHRL3MBTL1GAA
SCHEMBL8398060 0.88 SMN1; SMN2 (0.39) KDM4EL3MBTL1GAASMN1; SMN2POLB
SCHEMBL8396594 0.88 SMN1; SMN2 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL8398112 0.87 SMN1; SMN2 (0.38) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL8395372 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL8399123 0.86 SMN1; SMN2 (0.52) KDM4EL3MBTL1GAASMN1; SMN2POLB
SCHEMBL8397887 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL8396328 0.85 AKR1B1 (0.42) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1

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