SCHEMBL28581357

SCHEMBL28581357

Cc1oc2cccc(-c3ccccc3)c2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LIMK1 P53667 2/20 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
SCHEMBL28319788 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12203195 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28367585 0.77 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL26242422 0.77 PTPN1 (0.37) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL26320501 0.76 RAB9A (0.37) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19010384 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPK1PDCD1
SCHEMBL12695627 0.75 MAPT (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19764761 0.74 CA1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTLIMK1
SCHEMBL26254239 0.74 PDCD1 (0.46) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL31276071 0.74 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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-112851608-B Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2022-07-15 — — CN disclosed
CN-112851608-A Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2021-05-28 — — CN disclosed
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