SCHEMBL28536170

SCHEMBL28536170

Cc1cccc(CO[SiH3])c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 4/20 0.51
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
KAT2B Q92831 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
BMP1 P13497 2/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6655757 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL8216538 0.82 ALDH1A1 (0.46) ALDH1A1TDP1HPGDPOLBMEN1
SCHEMBL6653894 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6655188 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL3117929 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL4619722 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL13344110 0.80 TDP1 (0.69) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL8178850 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6658253 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL18138442 0.79 TDP1 (0.67) ALDH1A1TDP1TSHRHPGDPOLB

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-112292414-A Cation-curable composition and method for producing cured product 迪睿合株式会社 2021-01-29 CN disclosed