SCHEMBL8400249

SCHEMBL8400249

CCCc1ccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
P2RX3 P56373 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
CYP4Z1 Q86W10 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.31
CYP4F12 Q9HCS2 1/20 0.31
DHFR P00374 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 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LTB4R2L3MBTL1MEN1KMT2A
SCHEMBL8399176 0.92 SMN1; SMN2 (0.44) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8398960 0.91 SMN1; SMN2 (0.41) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8399273 0.90 SMN1; SMN2 (0.40) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8400120 0.90 LTB4R2 (0.37) LTB4R2L3MBTL1TP53MCHR1
SCHEMBL8399123 0.90 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8399271 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2MEN1KMT2ATP53
SCHEMBL8395387 0.88 SMN1; SMN2 (0.38) SMN1; SMN2LTB4R2L3MBTL1MEN1KMT2A
SCHEMBL8399099 0.88 SMN1; SMN2 (0.39) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8400515 0.88 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1

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