SCHEMBL8399271

SCHEMBL8399271

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 5/20 0.34
TSHR P16473 3/20 0.34
HDAC1 Q13547 3/20 0.34
MAPT P10636 3/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX15 P16050 2/20 0.33

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
SCHEMBL8400200 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNATSHRMAPT
SCHEMBL8399176 0.92 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTGLAMEN1
SCHEMBL8398960 0.91 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL8399206 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDNPC1GAA
SCHEMBL8395387 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL8399273 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL8399251 0.90 TSHR (0.40) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL8399123 0.90 SMN1; SMN2 (0.52) SMN1; SMN2HPGDGAAMEN1KMT2A
SCHEMBL8400249 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ATP53LTB4R2
SCHEMBL8400515 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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