SCHEMBL27929427

SCHEMBL27929427

CCC(=O)c1coc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ CSNK2A3 Q8NEV1 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SIRT1 Q96EB6 2/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL27929424 0.82 PIM1 (0.47) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29918465 0.80 MAOB (0.55) KMT2ARAB9AL3MBTL1MAOBNPC1
SCHEMBL24170723 0.80 MAOB (0.55) KMT2ARAB9AL3MBTL1MAOBNPC1
SCHEMBL13545135 0.76 HSP90AB1 (0.53) PIM1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL11629513 0.73 ALDH1A1 (0.61) KMT2ARAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL13545143 0.73 MAOB (0.67) MAOB
SCHEMBL29215273 0.72 ALDH1A1 (0.59) KMT2ARAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23643781 0.70 POLB (0.53) KMT2ASMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL29254632 0.69 SMN1; SMN2 (0.47) KMT2ARAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL11263612 0.69 IDO1 (0.53) RAB9ASMN1; SMN2L3MBTL1MAOBALDH1A1

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-103214506-A Benzofuran or naphthofuran derivative and preparation method thereof UNIV SHANGHAI 2013-07-24 — — CN disclosed
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