SCHEMBL28937401

SCHEMBL28937401

Cc1n[c]c2cc(OCc3ccccc3)c(=O)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NTSR1 P30989 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL24096443 0.77 LMNA (0.46) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL25101188 0.68 LMNA (0.68) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL9284380 0.68 PDGFRB (0.51) LMNAHTTSTAT3SMN1; SMN2MAPK1
SCHEMBL865299 0.66 L3MBTL1 (0.50) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL24556374 0.66 L3MBTL1 (0.49) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL5370441 0.65 PKM (0.44) LMNAL3MBTL1NPC1RAB9AHCAR2
SCHEMBL2465344 0.65 LMNA (0.51) LMNAHTTSMN1; SMN2L3MBTL1NPC1
SCHEMBL6500546 0.64 MAPK14 (0.49) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL1478411 0.63 LMNA (0.47) LMNAHTTSTAT3SMN1; SMN2L3MBTL1
SCHEMBL18851681 0.63 LMNA (0.63) LMNAL3MBTL1MAPK1MAPTTDP1

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-115605479-B Pyridopyrimidine derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-05-14 — — CN disclosed
CN-115605479-A Pyridoneopyrimidine derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司(CN) 2023-01-13 — — CN disclosed
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