SCHEMBL13900311

SCHEMBL13900311

O=C(O)c1ccc(N2C(=O)C=C(c3ccccc3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.57
▸ CA9 Q16790 6/20 0.57
▸ CA1 P00915 4/20 0.57
▸ CA2 P00918 1/20 0.57
▸ SCN2A Q99250 1/20 0.57
▸ DDAH1 O94760 1/20 0.53
▸ PPARA Q07869 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ STAT3 P40763 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ DUSP22 Q9NRW4 1/20 0.43

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
SCHEMBL9967354 0.88 MAPT (0.50) CA12CA9CA1CA2SCN2A
SCHEMBL15081256 0.88 CA12 (0.43) CA12CA9CA1CA2SCN2A
SCHEMBL303331 0.85 ALDH1A1 (0.51) NPSR1ALDH1A1MAPTPKMHTT
SCHEMBL28170453 0.84 NPSR1 (0.47) NPSR1SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL1471161 0.82 MAPT (0.50) NPSR1ALDH1A1MAPTHTTPTGES
SCHEMBL1471657 0.81 MAPT (0.54) NPSR1KDM4EALDH1A1MAPTGAA
SCHEMBL1471189 0.81 ALDH1A1 (0.57) NPSR1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL1473687 0.81 MGLL (0.47) NPSR1KDM4EALDH1A1MAPTHTT
SCHEMBL1471136 0.81 MGLL (0.47) CA12CA9CA1CA2SCN2A
SCHEMBL28976650 0.81 ALDH1A1 (0.45) NPSR1ALDH1A1MAPTHTTGAA

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-7507784-B2 Liquid crystalline thermosets from ester, ester-imide, and ester-amide oligomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2009-03-24 — — US disclosed
US-7507784-B2 Liquid crystalline thermosets from ester, ester-imide, and ester-amide oligomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2009-03-24 — — US disclosed
Send feedback