SCHEMBL28409396

SCHEMBL28409396

O=C(O)C(O)SCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL3766948 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL258742 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL258592 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL10668707 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL3096665 0.76 ALDH1A1 (0.55) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL752337 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2
SCHEMBL29462217 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2
SCHEMBL752336 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2
SCHEMBL6340423 0.75 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL11089104 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2MEN1KMT2A

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
CN-111253563-B Application of polycarbonate as ultraviolet photoresist material 浙江大学 2020-12-11 CN disclosed
CN-111253563-A Application of polycarbonate as ultraviolet photoresist material 浙江大学 2020-06-09 CN disclosed