SCHEMBL11698798

SCHEMBL11698798

Nc1ccccc1-c1nc2c(O)cccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PDPK1 O15530 1/20 0.58
APP P05067 2/20 0.54
DYRK1A Q13627 1/20 0.46
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL27670304 0.87 PDPK1 (0.56) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL29778657 0.85 PDPK1 (0.54) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL9718878 0.85 ALDH1A1 (0.65) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL10779720 0.83 ALDH1A1 (0.61) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21089192 0.81 ALDH1A1 (0.59) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21089385 0.79 ALDH1A1 (0.56) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL8530618 0.79 MAPT (0.52) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL29873401 0.77 APP (0.68) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL483414 0.77 APP (0.68) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21089196 0.75 RET (0.49) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1

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
US-4039553-A Certain 2(2'-hydroxyphenyl)benzothiazolo derivatives GAF CORPORATION (US) 1977-08-02 US disclosed
US-3972875-A RED FLUORESCENT DYES GAF CORPORATION (US) 1976-08-03 US disclosed