SCHEMBL31591077

SCHEMBL31591077

COCCc1ccc(Cn2ncc(C(N)=O)c2COC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ NR3C1 P04150 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PDE8B O95263 1/20 0.33
▸ ME2 P23368 1/20 0.32
▸ ME1 P48163 1/20 0.32
▸ ME3 Q16798 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30739057 0.89 NPC1 (0.42) TSHRLMNANPC1ALDH1A1NR3C1
SCHEMBL31591085 0.83 TSHR (0.46) TSHRLMNANPC1ALDH1A1KMT2A
SCHEMBL30739059 0.81 KLKB1 (0.47) MAPK14KLKB1ALOX15L3MBTL1
SCHEMBL31591061 0.80 TSHR (0.43) TSHRLMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL30739173 0.79 NPC1 (0.42) TSHRLMNANPC1ALDH1A1KMT2A
SCHEMBL369444 0.75 NPBWR1 (0.48) NPC1ALDH1A1SMN1; SMN2POLBNPBWR1
SCHEMBL370914 0.75 NPBWR1 (0.48) LMNANPC1NPBWR1ALOX15L3MBTL1
SCHEMBL369974 0.75 NPBWR1 (0.48) LMNANPC1ALDH1A1SMN1; SMN2NPBWR1
SCHEMBL368793 0.75 NPBWR1 (0.45) POLBNPBWR1ALOX15L3MBTL1
SCHEMBL371091 0.72 NPBWR1 (0.45) LMNANPC1SMN1; SMN2NPBWR1ALOX15

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-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
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