SCHEMBL8396256

SCHEMBL8396256

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
AKR1B1 P15121 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
CFTR P13569 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL8400333 0.92 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8395482 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8398979 0.90 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8400711 0.90 AKR1B1 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8395834 0.90 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8396237 0.89 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MAPTALDH1A1GAA
SCHEMBL8398972 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1
SCHEMBL8395289 0.88 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8397061 0.88 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8399202 0.88 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1

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