SCHEMBL8398989

SCHEMBL8398989

CCCOc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
LTA4H P09960 1/20 0.32
GAA P10253 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8396212 0.91 LTB4R2 (0.39) LMNATP53MAPTALDH1A1HTT
SCHEMBL8395487 0.90 SMN1; SMN2 (0.39) SMN1; SMN2LMNATP53MAPTALDH1A1
SCHEMBL8395772 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL8397851 0.89 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8396366 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNATP53MAPTMEN1
SCHEMBL8398980 0.88 SMN1; SMN2 (0.41) SMN1; SMN2LMNATP53MAPTMEN1
SCHEMBL8399027 0.87 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL8399202 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNATP53MAPTALDH1A1
SCHEMBL8400723 0.87 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL8399292 0.87 AKR1B1 (0.38) SMN1; SMN2AKR1B1

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