SCHEMBL28857623

SCHEMBL28857623

Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3)o2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.71
▸ KDM4E B2RXH2 1/20 0.65
▸ POLB P06746 1/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ HTT P42858 1/20 0.60
▸ HIF1A Q16665 3/20 0.59
▸ EPAS1 Q99814 3/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SLC12A2 P55011 1/20 0.51
▸ SLC12A5 Q9H2X9 1/20 0.51

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
SCHEMBL28857649 0.88 LMNA (0.78) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857637 0.87 KDM4E (0.71) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857579 0.82 LMNA (0.70) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857601 0.82 LMNA (0.79) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857608 0.81 LMNA (0.71) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857582 0.81 LMNA (0.68) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857633 0.80 KDM4E (0.67) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857594 0.80 LMNA (0.76) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857664 0.79 KDM4E (0.68) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857665 0.76 HTT (1.00) LMNAKDM4EPOLBKMT2AHTT

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
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