SCHEMBL9683660

SCHEMBL9683660

C=C(O)CNc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
CRHBP P24387 5/20 0.62
CRHR2 Q13324 5/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 10/20 0.55
THRB P10828 1/20 0.55
LMNA P02545 3/20 0.52
ALPG P10696 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 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
SCHEMBL28103604 0.84 MAPT (0.64) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9682978 0.79 KMT2A (0.65) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4954687 0.78 MAPT (0.64) MAPTMEN1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL8571676 0.78 MAPT (0.64) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9654359 0.78 MAPT (0.59) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4952994 0.77 MAPT (0.62) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4951801 0.77 MAPT (0.62) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL2059682 0.77 MAPT (1.00) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL14003611 0.77 ALDH1A1 (0.65) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4490833 0.76 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA

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-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