SCHEMBL30598755

SCHEMBL30598755

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3c(C(=O)O)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAS2R14 Q9NYV8 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL30678371 0.83 PDE1B (0.42) PTPN1SMN1; SMN2BLMPMP22KDM4E
SCHEMBL19280469 0.81 PDE1B (0.42) SMN1; SMN2KDM4ENPC1LMNAMAPT
SCHEMBL19701834 0.79 CSF1R (0.41) SMN1; SMN2L3MBTL1NPC1LMNAMAPT
SCHEMBL12283605 0.77 GAA (0.39) PTPN1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL14652253 0.74 GAA (0.38) PTPN1SMN1; SMN2KDM4EL3MBTL1NPC1
SCHEMBL30523344 0.74 ROCK2 (0.38) SMN1; SMN2KDM4ENPC1RAB9ALMNA
SCHEMBL19354353 0.71 PDE1B (0.44) SMN1; SMN2KDM4ENPC1RAB9ALMNA
SCHEMBL21199274 0.70 PDE2A (0.41) PTPN1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10250615 0.70 TSHR (0.53) SMN1; SMN2KDM4ELMNAMAPTUSP2
SCHEMBL12283712 0.69 GAA (0.40) PTPN1SMN1; SMN2KDM4EL3MBTL1LMNA

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-116903626-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-20 — — CN disclosed
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