SCHEMBL29112207

SCHEMBL29112207

CC(C)(c1ccc(ON=[N+]=[N-])cc1)c1ccc(ON=[N+]=[N-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
TSHR P16473 3/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CYP3A4 P08684 2/20 0.37
AR P10275 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL16353372 0.72 FURIN (0.32)
SCHEMBL19832315 0.72 MAPT (0.39) HPGDTSHRESR1ESR2CYP3A4
SCHEMBL9841149 0.72 LTA4H (0.39) TSHRALDH1A1
SCHEMBL16350501 0.69 GRIN2D (0.32) MEN1KMT2AALDH1A1CYP1A2
SCHEMBL6691589 0.68 HPGD (0.37) HPGDTSHRESR1ESR2CYP3A4
SCHEMBL10112753 0.66 CA1 (0.61) HPGDTSHRESR1ESR2CYP3A4
SCHEMBL83852 0.66 CA1 (0.61) HPGDTSHRESR1ESR2CYP3A4
SCHEMBL16326892 0.66 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL196629 0.64 HPGD (0.46) HPGDTSHRESR1ESR2CYP3A4
SCHEMBL21761364 0.64 HPGD (0.46) HPGDTSHRESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116880126-A Preparation and application of branched benzocyclobutenyl polysiloxane low dielectric loss photosensitive resin 西南科技大学 2023-10-13 CN disclosed