SCHEMBL8399809

SCHEMBL8399809

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NAAA Q02083 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
STING1 Q86WV6 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
SCHEMBL8396324 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8395601 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTTHRBLTB4R2
SCHEMBL8399267 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTGAALTB4R2
SCHEMBL8399030 0.90 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ATDP1L3MBTL1
SCHEMBL8396412 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EGAALTB4R2
SCHEMBL8399206 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1MAPTTDP1
SCHEMBL8399273 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8399123 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AKDM4ETDP1
SCHEMBL8396627 0.88 RXRA (0.34) SMN1; SMN2KMT2AMAPTMAPK1LTB4R2
SCHEMBL8396430 0.88 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTTDP1

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