SCHEMBL8399334

SCHEMBL8399334

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
AKR1B1 P15121 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.35
NOS2 P35228 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
NOS3 P29474 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NOS1 P29475 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL8400241 0.92 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1HDAC6LTB4R2MAPT
SCHEMBL8399130 0.91 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1LTB4R2MAPTLMNA
SCHEMBL8396278 0.90 AKR1B1 (0.41) SMN1; SMN2AKR1B1LMNAMAOBNPC1
SCHEMBL8395933 0.90 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MAPTALDH1A1GAA
SCHEMBL8396378 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1LTB4R2MAPTALDH1A1
SCHEMBL8400345 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1LTB4R2MAPTLMNA
SCHEMBL8399327 0.89 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1LTB4R2MAPTLMNA
SCHEMBL8396118 0.89 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1LTB4R2LMNAMAOB
SCHEMBL8398076 0.89 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1LTB4R2NOS2MAPT
SCHEMBL8399267 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HDAC6LTB4R2NOS2MAPT

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