SCHEMBL31236639

SCHEMBL31236639

CC(C)(C)c1ccccc1[S+](c1ccccc1)c1ccccc1.O=[N+]([O-])[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
GALR3 O60755 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL3200821 0.89 ALDH1A1 (0.43) ALDH1A1TDP1TSHRNPSR1KMT2A
SCHEMBL31005109 0.89 ALDH1A1 (0.43) ALDH1A1TDP1TSHRNPSR1KMT2A
Bromide SCHEMBL2480522 0.87 ALDH1A1 (0.41) ALDH1A1TDP1TSHRNPSR1KMT2A
SCHEMBL31005118 0.85 ALDH1A1 (0.43) ALDH1A1TDP1TSHRNPSR1KMT2A
SCHEMBL3215140 0.85 ALDH1A1 (0.43) ALDH1A1TDP1TSHRNPSR1KMT2A
Acetic Acid SCHEMBL2448695 0.84 RXRA (0.40) ALDH1A1TDP1TSHRNPSR1KMT2A
Malonic Acid SCHEMBL2448626 0.81 ALDH1A1 (0.38) ALDH1A1TDP1TSHRNPSR1HTT
Trifluoromethanesulfonic Acid SCHEMBL1813934 0.80 HSD11B1 (0.40) ALDH1A1TDP1TSHR
Malonic Acid SCHEMBL2448629 0.79 RBP4 (0.41) ALDH1A1TDP1TSHRNPSR1GAA
Trifluoromethanesulfonic Acid SCHEMBL1813935 0.77 ALDH1A1 (0.39) ALDH1A1TDP1TSHRNPSR1CA2

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-111856882-B Composition for forming silicon-containing resist underlayer film and pattern forming method 信越化学工业株式会社 2024-11-29 CN claimed