SCHEMBL22641730

SCHEMBL22641730

O=C(/C=C/c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)NOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL22641675 0.94 MAPT (0.47) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22641632 0.91 HDAC3 (0.50) MAPTKDM4ELMNAHDAC3HDAC4
SCHEMBL22579255 0.88 MAPT (0.42) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL22641747 0.83 MAPT (0.39) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL22579296 0.82 MAOB (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL23911848 0.81 AURKA (0.40) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL1579761 0.81 MGLL (0.43) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL38654486 0.81 TRPM8 (0.41) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL1579763 0.81 MGLL (0.43) KDM4EALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL26186289 0.81 MGLL (0.41) MAPTKDM4EALDH1A1KMT2AMEN1

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
EP-3736266-A1 COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF Peking University Shenzhen Graduate School (CN) 2020-11-11 — — EP disclosed
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