SCHEMBL22641747

SCHEMBL22641747

Cc1cc(/C=C/C(=O)NOC2CCCCO2)ccc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 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
SCHEMBL22579255 0.96 MAPT (0.42) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22579295 0.94 HDAC1 (0.42) MAPTFGFR1RAB9ASMN1; SMN2LTB4R
SCHEMBL22579236 0.90 ABCB1 (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22641675 0.89 MAPT (0.47) MAPTFGFR1RAB9AMEN1KMT2A
SCHEMBL22579300 0.85 ADH5 (0.48) MAPTMEN1KMT2ASMN1; SMN2LTB4R
SCHEMBL22641730 0.83 MAPT (0.48) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22641632 0.83 HDAC3 (0.50) MAPTPTGS2KDM4ELMNAHDAC3
SCHEMBL22579221 0.80 PTGS2 (0.53) MAPTFGFR1RAB9AMEN1KMT2A
SCHEMBL22579202 0.77 FGFR1 (0.50) MAPTFGFR1RAB9AMEN1KMT2A
SCHEMBL22579263 0.76 MAPT (0.53) MAPTRAB9AMEN1KMT2ASMN1; 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 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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