SCHEMBL22451253

SCHEMBL22451253

C=C(C)C(=O)OCCCCCCOc1ccc(Sc2ccc3nn(-c4cc(C)cc(SCCCC)c4O)nc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.34
MAPK14 Q16539 2/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL22451254 0.90 ALDH1A1 (0.33) TDP1POLBALDH1A1NPC1KDM4E
SCHEMBL22451359 0.88 TDP1 (0.39) TDP1POLBAPEX1HTTTSHR
SCHEMBL26663595 0.85 TDP1 (0.41) TDP1POLBAPEX1HTTMAPK14
SCHEMBL22451353 0.81 TSHR (0.37) TDP1POLBAPEX1HTTTSHR
SCHEMBL26665629 0.81 MAPK14 (0.33) TDP1POLBAPEX1HTTMAPK14
SCHEMBL22451203 0.80 TSHR (0.34) POLBTSHRALDH1A1NPC1KDM4E
SCHEMBL22451322 0.80 PTGS2 (0.34) ALDH1A1
SCHEMBL22451256 0.79 MAPT (0.41) POLBMAPK14ALDH1A1NPC1KDM4E
SCHEMBL22451365 0.78 ALDH1A1 (0.35) TDP1POLBALDH1A1NPC1KDM4E
SCHEMBL22451255 0.78 NPC1 (0.32) TDP1POLBALDH1A1NPC1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712138-A1 BENZOTRIAZOLE COMPOUND Miyoshi Oil & Fat Co., Ltd. (JP) 2020-09-23 EP disclosed