SCHEMBL9681922

SCHEMBL9681922

C=CC(=O)Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
HTT P42858 3/20 0.59
TGM2 P21980 1/20 0.59
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL17368531 0.88 HTT (0.60) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11037350 0.84 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16830145 0.83 MAPK1 (0.62) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29757976 0.83 TGM2 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16830146 0.83 MAPK1 (0.62) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL24900635 0.83 TGM2 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3271853 0.83 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4490833 0.83 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31596187 0.82 TGM2 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30391172 0.82 TGM2 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079321-A Acrylates and acrylamides containing a nitrophenyl group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-07 US claimed
CN-120058736-A FLT3 covalent inhibitor containing isoxazolo [5,4-b ] pyridine structure and preparation method and application thereof 南京中医药大学 2025-05-30 CN disclosed
US-5112531-A Acrylic ester and acrylic amide polymers containing nitrophenyl groups in the side chain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-05-12 US disclosed
US-5112531-A Acrylic ester and acrylic amide polymers containing nitrophenyl groups in the side chain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-05-12 US disclosed
US-5079321-A Acrylates and acrylamides containing a nitrophenyl group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-07 US disclosed
US-5079321-A Acrylates and acrylamides containing a nitrophenyl group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-07 US disclosed