SCHEMBL31284553

SCHEMBL31284553

Cc1ccc([N+](=O)[O-])cc1-n1nccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 3/20 0.50
POLB P06746 1/20 0.45
ESPL1 Q14674 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
PDE2A O00408 1/20 0.43
PDE5A O76074 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
PDE4A P27815 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
SCHEMBL2627310 0.87 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4POLB
SCHEMBL31284919 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4POLB
SCHEMBL31284625 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP3A4MEN1
SCHEMBL28827186 0.78 ALDH1A1 (0.54) ALDH1A1TSHRTDP1CYP3A4POLB
SCHEMBL31284231 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP3A4POLB
SCHEMBL7828891 0.77 ALDH1A1 (0.57) ALDH1A1TSHRTDP1POLBMEN1
SCHEMBL17292927 0.77 HSD17B10 (0.55) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL2627235 0.76 ESPL1 (0.38) ALDH1A1TSHRTDP1ESPL1MEN1
SCHEMBL31284605 0.76 ABCC8 (0.41) ALDH1A1POLBESPL1KMT2ACASP1
SCHEMBL13624975 0.76 ALDH1A1 (0.51) ALDH1A1TSHRESPL1MEN1KMT2A

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
EP-4743085-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025019357-A2 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-01-23 WO disclosed