SCHEMBL8396237

SCHEMBL8396237

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOS2 P35228 9/20 0.38
NOS3 P29474 5/20 0.38
NOS1 P29475 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
EGFR P00533 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL8395834 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LTB4R2NPC1ALDH1A1MAPT
SCHEMBL8398979 0.92 SMN1; SMN2 (0.41) SMN1; SMN2HDAC6LTB4R2TRPM8MAOB
SCHEMBL8397061 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2MAOBNPC1ALDH1A1
SCHEMBL8395289 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LTB4R2EGFRALDH1A1GAA
SCHEMBL8399202 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1ALDH1A1GAAMAPT
SCHEMBL8400333 0.90 SMN1; SMN2 (0.38) SMN1; SMN2HDAC6NOS2NOS3LTB4R2
SCHEMBL8396213 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NOS2LTB4R2ALDH1A1MAPT
SCHEMBL8400343 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MAOBALDH1A1MAPTAKR1B1
SCHEMBL8398980 0.89 SMN1; SMN2 (0.41) SMN1; SMN2TRPM8NPC1MAPTAKR1B1
SCHEMBL8396256 0.89 SMN1; SMN2 (0.39) SMN1; SMN2HDAC6LTB4R2ALDH1A1GAA

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