SCHEMBL6161137

SCHEMBL6161137

O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 4/20 0.56
ALOX5 P09917 1/20 0.54
SRD5A2 P31213 1/20 0.53
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 4/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
CES1 P23141 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PAX8 Q06710 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.49
CES2 O00748 1/20 0.49

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
SCHEMBL1979491 0.87 POLB (0.71) MEN1KMT2APOLBSRD5A2LMNA
SCHEMBL231732 0.85 MEN1 (0.51) MEN1KMT2APOLBALOX5SMN1; SMN2
SCHEMBL3571484 0.85 CES2 (0.62) MEN1KMT2APOLBLMNAGAA
SCHEMBL29768853 0.85 CES2 (0.62) MEN1KMT2APOLBLMNAGAA
SCHEMBL1566658 0.84 CYP3A4 (0.68) MEN1KMT2AALOX5SRD5A2CYP3A4
SCHEMBL28435034 0.84 LMNA (0.56) POLBSRD5A2CYP3A4SMN1; SMN2LMNA
SCHEMBL30410721 0.83 CYP3A4 (0.52) MEN1KMT2APOLBALOX5SRD5A2
SCHEMBL16395874 0.82 TTR (0.54) MEN1KMT2APOLBSRD5A2CYP3A4
SCHEMBL214448 0.81 CES2 (0.61) POLBALOX5SRD5A2CYP3A4SMN1; SMN2
SCHEMBL14746653 0.81 MAPK1 (0.53) MEN1KMT2APOLBALOX5SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992995-B2 Lightly crosslinked polyimides with phenylethynyl pendants for shape-memory effect and programmed enhancement in Tg and modulus UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2024-05-28 US disclosed
US-20220388223-A1 Lightly Crosslinked Polyimides with Phenylethynyl Pendants for Shape-Memory Effect and Programmed Enhancement in Tg and Modulus GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2022-12-08 US disclosed
US-11504899-B1 Method for fabricating lightly crosslinked polyimides with phenylethynyl pendants for shape-memory effect and programmed enhancement in Tg and modulus UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2022-11-22 US disclosed
EP-0842212-B1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 2005-02-16 EP disclosed
EP-0842212-A4 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 1998-10-14 EP disclosed
EP-0842212-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1998-05-20 EP disclosed
US-5689004-A CONTROLLED MOLECULAR WEIGHT IMIDE OLIGOMERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-11-18 US disclosed
US-5606014-A MOLECULAR WEIGHT CONTROL; CYCLODEHYDRATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-25 US disclosed
WO-1997006200-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS & SPACE ADMINISTRATION (US) 1997-02-20 WO disclosed