SCHEMBL21586958

SCHEMBL21586958

Nc1ccc(O)c(-n2nc3ccc([S+]([O-])c4ccccc4)cc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
NPC1 O15118 11/20 0.47
RAB9A P51151 10/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
STAT1 P42224 1/20 0.47
LMNA P02545 2/20 0.45
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
APAF1 O14727 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 5/20 0.34

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
SCHEMBL9265282 0.85 POLB (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29444885 0.81 NPC1 (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL508298 0.81 NPC1 (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11610698 0.78 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21586957 0.77 KMT2A (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3217888 0.75 KMT2A (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6930071 0.74 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21023563 0.74 MEN1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30887171 0.72 NPC1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28056010 0.72 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMAPT

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