SCHEMBL29205679

SCHEMBL29205679

O=C(O)Cc1nnn[nH]1.S=c1[nH]nnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD11B1 P28845 3/20 0.36
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL367379 0.78 ALDH1A1 (0.39) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL9208204 0.76 ALDH1A1 (0.38) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL29518864 0.74 CSNK2A2 (0.31) TSHRALDH1A1
SCHEMBL29538603 0.74 CSNK2A2 (0.31) TSHRALDH1A1
SCHEMBL595749 0.74
SCHEMBL27979929 0.72
Ethylene SCHEMBL6555998 0.71 CSNK2A2 (0.31) TSHRALDH1A1
SCHEMBL12892338 0.69 NR4A1 (0.49) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL12892341 0.69 ALDH1A1 (0.48) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL1820794 0.66 CES1 (0.42) ALDH1A1MEN1KMT2AHSD11B1TDP1

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-117946686-A Composition for selectively etching aluminum oxide 安集微电子科技(上海)股份有限公司 2024-04-30 CN claimed
CN-117946686-A Composition for selectively etching aluminum oxide 安集微电子科技(上海)股份有限公司 2024-04-30 CN disclosed