SCHEMBL5028038

SCHEMBL5028038

Nc1cc2nc(-c3ccc(C(=O)O)cc3)sc2cc1OS

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
KDM4E B2RXH2 8/20 0.64
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
GAA P10253 6/20 0.64
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 3/20 0.64
HPGD P15428 3/20 0.64
MEN1 O00255 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
PKM P14618 2/20 0.64
HTT P42858 1/20 0.64
ATM Q13315 1/20 0.64
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
GFER P55789 2/20 0.57
MITF O75030 1/20 0.57

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
SCHEMBL4305667 0.83 KDM4E (0.68) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9797066 0.81 KDM4E (0.71) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14030811 0.81 KDM4E (0.72) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4305693 0.79 KDM4E (0.74) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6946336 0.79 KDM4E (0.59) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21708400 0.75 NPC1 (0.66) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9797268 0.73 KDM4E (0.88) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8531346 0.73 KDM4E (1.00) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8534417 0.73 MAPT (0.79) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14157073 0.72 APP (0.68) MAPTKDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269455-A1 Process for Production of Polybenzazole Polymer and the Polymer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed