SCHEMBL8399176

SCHEMBL8399176

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
P2RX3 P56373 4/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NAAA Q02083 1/20 0.32
TP53 P04637 2/20 0.32
HCRTR2 O43614 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
SCHEMBL8400200 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EGLAMEN1
SCHEMBL8398960 0.93 SMN1; SMN2 (0.41) SMN1; SMN2P2RX3MAPTMEN1KMT2A
SCHEMBL8399273 0.92 SMN1; SMN2 (0.40) SMN1; SMN2P2RX3MAPTKDM4EHPGD
SCHEMBL8399123 0.92 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL8399271 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MAPTGLAHPGDMEN1
SCHEMBL8400249 0.92 SMN1; SMN2 (0.39) SMN1; SMN2P2RX3MEN1KMT2ATDP1
SCHEMBL8399099 0.91 SMN1; SMN2 (0.39) SMN1; SMN2P2RX3MEN1KMT2ATDP1
SCHEMBL8400515 0.91 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL8395387 0.89 SMN1; SMN2 (0.38) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL8399708 0.89 AKR1B1 (0.35) SMN1; SMN2MAPTKMT2ACNR1CNR2

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