SCHEMBL4305693

SCHEMBL4305693

Nc1cc2sc(-c3ccc(C(=O)O)cc3)nc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.74
MAPT P10636 7/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
GAA P10253 5/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 3/20 0.74
MEN1 O00255 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
PKM P14618 2/20 0.74
HTT P42858 1/20 0.74
ATM Q13315 1/20 0.74
NFKB1 P19838 4/20 0.63
NFKB2 Q00653 4/20 0.63
RELA Q04206 4/20 0.63
GFER P55789 2/20 0.63
MITF O75030 1/20 0.63

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
SCHEMBL13932581 0.89 KDM4E (0.60) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9797066 0.85 KDM4E (0.71) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14030811 0.85 KDM4E (0.72) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4305667 0.82 KDM4E (0.68) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21708400 0.79 NPC1 (0.66) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5028038 0.79 MAPT (0.64) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14157073 0.78 APP (0.68) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9797268 0.77 KDM4E (0.88) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8531346 0.77 KDM4E (1.00) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8534417 0.77 MAPT (0.79) KDM4EMAPTNPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US claimed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed