SCHEMBL29137501

SCHEMBL29137501

O=Cc1ccc2cc3c(C=O)c(C=O)ccc3cc2c1C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.40
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL347177 0.90 ERN1 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL545879 0.88 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB
SCHEMBL547776 0.88 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB
SCHEMBL3447841 0.81 ERN1 (0.42) ERN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15065087 0.80 ERN1 (0.49) ERN1ESR1ESR2
SCHEMBL5549581 0.79 TDP1 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL31663413 0.77 ERN1 (0.62) ERN1TDP1MEN1LMNATHRB
SCHEMBL197337 0.77 ERN1 (0.62) ERN1TDP1MEN1LMNATHRB
SCHEMBL548457 0.76 TDP1 (0.50) ERN1TDP1MEN1LMNATHRB
SCHEMBL18425254 0.76 ALDH1A1 (0.54) ERN1MEN1KMT2AALDH1A1KDM4E

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-117143448-A Preparation method of underground coal mine reinforcing water plugging material 安徽佳泰矿业科技有限公司 2023-12-01 CN claimed
CN-117143448-A Preparation method of underground coal mine reinforcing water plugging material 安徽佳泰矿业科技有限公司 2023-12-01 CN disclosed