SCHEMBL9467129

SCHEMBL9467129

Oc1ccc(-c2n[nH]c(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.64
NR1H3 Q13133 4/20 0.64
LMNA P02545 4/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
DGAT1 O75907 1/20 0.58
HPGDS O60760 1/20 0.53
ADORA2A P29274 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.48
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PKM P14618 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL17279695 0.93 NR1H2 (0.79) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL17279696 0.87 NR1H2 (0.59) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL26109969 0.81 NR1H2 (0.96) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL17574086 0.81 NR1H2 (0.96) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL17279700 0.79 NR1H2 (0.92) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL12228171 0.79 NR1H2 (0.86) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL11187134 0.79 NR1H2 (0.86) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL15007066 0.79 NR1H2 (0.64) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL17253717 0.79 NR1H2 (0.92) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL28221056 0.79 NR1H2 (0.63) NR1H2NR1H3LMNANPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245043-A Polyethers, polytriazoles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US claimed
US-5182356-A Reaction of di(hydroxyphenyl)-1,2,4-triazole monomers with activated aromatic dihalide or dinitro compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-01-26 US claimed
US-5245043-A Polyethers, polytriazoles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed
US-5245043-A Polyethers, polytriazoles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed
US-5182356-A Reaction of di(hydroxyphenyl)-1,2,4-triazole monomers with activated aromatic dihalide or dinitro compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-01-26 US disclosed
US-5182356-A Reaction of di(hydroxyphenyl)-1,2,4-triazole monomers with activated aromatic dihalide or dinitro compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-01-26 US disclosed