SCHEMBL28789319

SCHEMBL28789319

Cc1ccc(Oc2ccc(C3=NCCO3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.56
▸ KCNH2 Q12809 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 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
SCHEMBL11782167 0.91 LTA4H (0.62) LTA4HKCNH2HRH3KMT2AMEN1
SCHEMBL1814199 0.89 KCNH2 (0.43) LTA4HKCNH2HRH3NPC1RAB9A
SCHEMBL9649082 0.83 LTA4H (0.52) LTA4HKCNH2HRH3KMT2ANPC1
SCHEMBL28789394 0.82 LTA4H (0.54) LTA4HKCNH2HRH3KMT2AMEN1
SCHEMBL13517962 0.81 KCNH2 (0.50) LTA4HKCNH2HRH3KMT2ANPC1
SCHEMBL132013 0.80 KCNH2 (0.49) LTA4HKCNH2HRH3SMN1; SMN2
SCHEMBL10424022 0.79 NISCH (0.44) LTA4HKCNH2HRH3NPC1RAB9A
SCHEMBL15976794 0.77 KCNH2 (0.50) LTA4HKCNH2HRH3KMT2AMEN1
SCHEMBL7448223 0.74 KCNH2 (0.45) LTA4HKCNH2HRH3KMT2AMEN1
SCHEMBL23576315 0.73 KCNH2 (0.47) LTA4HKCNH2HRH3MAPTALDH1A1

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-114736358-A Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-07-12 — — CN disclosed
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