SCHEMBL28352248

SCHEMBL28352248

COC(=O)c1ccc(C(=O)N2CCCCC2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.63
TSHR P16473 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.55
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
CCKBR P32239 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL25727724 0.88 KMT2A (0.49) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL5103932 0.87 MBTD1 (0.56) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL28355609 0.83 HPGD (0.61) HPGDTSHRALDH1A1KDM4EGAA
SCHEMBL28355482 0.82 HPGD (0.66) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL20456915 0.79 L3MBTL3 (0.59) HPGDL3MBTL1L3MBTL3ALDH1A1KDM4E
SCHEMBL4002578 0.79 HPGD (0.69) HPGDL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL23675251 0.79 HPGD (0.71) HPGDTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL70233 0.78 KDM4E (0.62) HPGDALDH1A1KDM4EGAAKMT2A
SCHEMBL27301539 0.77 KMT2A (0.48) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL70433 0.77 HPGD (0.69) HPGDL3MBTL1ALDH1A1KDM4EKMT2A

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-110759889-B 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2022-05-20 CN disclosed
CN-110759889-A 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2020-02-07 CN disclosed