SCHEMBL21586972

SCHEMBL21586972

CC(C)(C)c1cc(O)cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.37
CNR2 P34972 1/20 0.37
PTGS2 P35354 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR6 P50406 1/20 0.33
FEN1 P39748 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 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
SCHEMBL30397522 0.90 POLB (0.46) POLBCNR2PTGS2NPC1RAB9A
SCHEMBL769483 0.90 POLB (0.37) POLBCNR2PTGS2NPC1RAB9A
SCHEMBL21586956 0.90 POLB (0.46) POLBCNR2PTGS2NPC1RAB9A
SCHEMBL29357045 0.90 POLB (0.37) POLBCNR2PTGS2NPC1RAB9A
SCHEMBL21586945 0.85 CYP1A1 (0.36) CNR2HTR6MEN1KMT2A
SCHEMBL5834070 0.84 CNR2 (0.35) POLBCNR2PTGS2NPC1RAB9A
SCHEMBL5627436 0.84 MAOB (0.38) CNR2GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL8351052 0.84 POLB (0.35) POLBPTGS2NPC1RAB9AALDH1A1
SCHEMBL21586964 0.82 PTGS2 (0.37) CNR2PTGS2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7787071 0.82 MAOB (0.37) POLBCNR2GAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578550-B1 NOVEL RED-SHIFTING BENZOTRIAZOLE UV ABSORBERS EVERLIGHT CHEM IND CORP (TW) 2023-08-16 EP disclosed
EP-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 EP disclosed