SCHEMBL21586950

SCHEMBL21586950

CCCCOc1cc(-n2nc3ccc([SH](=O)=O)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 2/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 3/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
STK25 O00506 1/20 0.31
MAPT P10636 3/20 0.31
PTGS1 P23219 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21586951 0.85 PDE2A (0.35) L3MBTL1GAANPC1RAB9AMEN1
SCHEMBL8922405 0.83 CA1 (0.40) NR1I2GAANPC1RAB9AMEN1
SCHEMBL10879715 0.81 NPC1 (0.39) NPC1RAB9ATSHRPLA2G2AF2R
SCHEMBL6359660 0.81 NPC1 (0.39) NPC1RAB9ATSHRPLA2G2AF2R
SCHEMBL11441445 0.81 NPC1 (0.39) NPC1RAB9ATSHRPLA2G2AF2R
SCHEMBL8441278 0.81 CA1 (0.39) NR1I2GAANPC1RAB9AMAPT
SCHEMBL23636598 0.80 MAPK14 (0.34) NR1I2L3MBTL1GAAXBP1ATM
SCHEMBL21800989 0.80 NPC1 (0.41) L3MBTL1GAAMAPK14NPC1RAB9A
SCHEMBL21586964 0.80 PTGS2 (0.37) L3MBTL1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL21586966 0.80 MMP1 (0.36) L3MBTL1THRATHRBMAPK14TSHR

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