SCHEMBL21586965

SCHEMBL21586965

CC(C)(C)c1cc(OCCCO)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 5/20 0.36
ACSS2 Q9NR19 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.33
PDE2A O00408 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL11136454 0.94 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL23638712 0.89 NPC1 (0.37) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11441445 0.88 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL6359660 0.88 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL10879715 0.88 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL8441278 0.88 CA1 (0.39) NPC1RAB9ALMNAACSS2ALDH1A1
SCHEMBL21586947 0.88 PDE2A (0.36) NPC1RAB9ALMNAKDM4EACSS2
SCHEMBL30887157 0.88 PDE2A (0.36) NPC1RAB9ALMNAKDM4EACSS2
SCHEMBL21586948 0.87 ACSS2 (0.34) NPC1RAB9ALMNAKDM4EACSS2
SCHEMBL8360557 0.86 KDM4E (0.47) NPC1RAB9ALMNAPOLBKDM4E

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