SCHEMBL8400517

SCHEMBL8400517

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1cc(C)cs1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
P2RX3 P56373 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.31
FLT1 P17948 2/20 0.30
KDR P35968 2/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL8396628 0.90 P2RX3 (0.34) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL8399211 0.90 AKR1B1 (0.33) MAPT
SCHEMBL8399299 0.86 AKR1B1 (0.37) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL8395485 0.85 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL8399176 0.85 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTTDP1GLA
SCHEMBL8398188 0.84 AKR1A1 (0.37)
SCHEMBL8398041 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTTDP1NPSR1
SCHEMBL8396324 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL8400200 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL8399123 0.83 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ETDP1HPGDMEN1

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