SCHEMBL9725326

SCHEMBL9725326

O=C(C(=O)c1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.68
MMP8 P22894 3/20 0.68
MMP2 P08253 2/20 0.68
MMP13 P45452 2/20 0.68
KDM4E B2RXH2 6/20 0.64
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
GLA P06280 2/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MGAM O43451 1/20 0.60
APP P05067 4/20 0.59
TP53 P04637 1/20 0.56
MGLL Q99685 1/20 0.55

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
SCHEMBL505728 0.90 KDM4E (0.69) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL2702813 0.84 RAB9A (0.64) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL11339575 0.84 KDM4E (0.64) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL23169620 0.84 RAB9A (0.64) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL29474819 0.83 RAB9A (0.81) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL366824 0.83 RAB9A (0.81) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL31472989 0.82 MMP2 (0.69) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL28608538 0.82 MMP2 (0.69) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL1987139 0.81 MMP2 (1.00) MMP9MMP8MMP2MMP13KDM4E
SCHEMBL754574 0.81 RAB9A (0.73) MMP9MMP8MMP2MMP13KDM4E

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-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed
US-4892953-A Benzthiazole substituted diacid terphenyl monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1990-01-09 US disclosed