SCHEMBL8399030

SCHEMBL8399030

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1cccc(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
P2RX3 P56373 2/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
MAOB P27338 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 2/20 0.32
F2 P00734 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL8395601 0.91 SMN1; SMN2 (0.41) SMN1; SMN2P2RX3LTB4R2MAOB
SCHEMBL8396324 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LTB4R2MEN1KMT2ATDP1
SCHEMBL8399267 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MAOB
SCHEMBL8396071 0.90 LTB4R2 (0.36) LTB4R2PTGDR2LMNATP53
SCHEMBL8399206 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2TDP1PTGDR2LMNA
SCHEMBL8399809 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MEN1KMT2ATDP1
SCHEMBL8396412 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MAOBPPARGPPARD
SCHEMBL8399123 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ATDP1L3MBTL1
SCHEMBL8396430 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2MEN1KMT2ATDP1
SCHEMBL8400345 0.88 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MAOBMEN1KMT2A

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