SCHEMBL28857622

SCHEMBL28857622

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3-c3ccccc3)o2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ HTT P42858 3/20 0.61
▸ HIF1A Q16665 3/20 0.60
▸ EPAS1 Q99814 3/20 0.60
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL28857594 0.87 LMNA (0.76) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857582 0.87 LMNA (0.68) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857664 0.86 KDM4E (0.68) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857579 0.85 LMNA (0.70) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857649 0.85 LMNA (0.78) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857644 0.85 POLB (0.63) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857633 0.79 KDM4E (0.67) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857646 0.78 LMNA (1.00) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857600 0.78 POLB (0.78) POLBLMNAKDM4EHTTHIF1A
SCHEMBL28857665 0.77 HTT (1.00) POLBLMNAKDM4EHTTHIF1A

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-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN disclosed
Send feedback