SCHEMBL28633259

SCHEMBL28633259

O=C(O)c1cc([N+](=O)[O-])ccc1CS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 2/20 0.51
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
NPC1 O15118 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6589180 0.85 HTT (0.63) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5916635 0.85 KMT2A (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL8483121 0.85 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6393059 0.83 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL9680553 0.83 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11648063 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL1122546 0.83 CYP1A2 (0.69) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6398092 0.82 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11622455 0.81 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11824132 0.81 MAPT (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT

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-113285024-A Semiconductor device having quantum dots, display device, imaging system, and moving object 佳能株式会社 2021-08-20 CN disclosed