SCHEMBL28857608

SCHEMBL28857608

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)o2)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.71
▸ KDM4E B2RXH2 2/20 0.65
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ HIF1A Q16665 3/20 0.56
▸ EPAS1 Q99814 3/20 0.56
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28857579 0.86 LMNA (0.70) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857601 0.84 LMNA (0.79) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857637 0.83 KDM4E (0.71) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857594 0.82 LMNA (0.76) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857623 0.81 LMNA (0.71) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857582 0.81 LMNA (0.68) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857664 0.81 KDM4E (0.68) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857633 0.80 KDM4E (0.67) LMNAKDM4EPOLBKMT2AHTT
SCHEMBL28857620 0.79 TNIK (0.49) 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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