SCHEMBL8399206

SCHEMBL8399206

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NOS2 P35228 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL8396412 0.93 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EGAAHTTLTB4R2
SCHEMBL8395601 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTNPC1LTB4R2
SCHEMBL8396324 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTTDP1ALDH1A1
SCHEMBL8399267 0.90 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1NPC1GAA
SCHEMBL8399115 0.90 MTNR1A (0.40) MTNR1AMTNR1BPTGDR2LMNANPC1
SCHEMBL8399271 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL8399809 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMAPTTDP1PTGDR2
SCHEMBL8399030 0.90 SMN1; SMN2 (0.40) SMN1; SMN2TDP1PTGDR2LMNALTB4R2
SCHEMBL8399123 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ETDP1HPGDGAA
SCHEMBL8398076 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MTNR1AMTNR1BKDM4EMAPT

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