SCHEMBL29005669

SCHEMBL29005669

COCc1cc(Cl)cc(COC)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
BLM P54132 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
PRKCE Q02156 3/20 0.35
MYLK Q15746 2/20 0.35
PRKCG P05129 1/20 0.35
PRKCA P17252 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL10179645 0.91 TSHR (0.58) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL18829973 0.80 ALDH1A1 (0.41) ALDH1A1TSHRMAPTTDP1MEN1
SCHEMBL863252 0.77 TSHR (0.53) ALDH1A1TSHRMAPTTDP1MEN1
SCHEMBL10179411 0.76 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL10180539 0.75 ALDH1A1 (0.33) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL10180606 0.75 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL29899364 0.75 TSHR (0.54) ALDH1A1TSHRMAPTTDP1MEN1
SCHEMBL10180170 0.74 TDP1 (0.37) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL19199629 0.74 MEN1 (0.56) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL7107938 0.74 ALDH1A1 (0.40) ALDH1A1TSHRMAPTTDP1MEN1

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-114967324-A Diamine compound, resin prepared from same, photosensitive resin composition and application 北京鼎材科技有限公司 2022-08-30 CN disclosed