SCHEMBL28857649

SCHEMBL28857649

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.78
▸ KDM4E B2RXH2 1/20 0.72
▸ HTT P42858 2/20 0.70
▸ POLB P06746 3/20 0.66
▸ KMT2A Q03164 2/20 0.65
▸ HIF1A Q16665 3/20 0.61
▸ EPAS1 Q99814 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 4/20 0.53
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ HPGD P15428 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
SCHEMBL28857579 0.93 LMNA (0.70) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857582 0.90 LMNA (0.68) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857637 0.90 KDM4E (0.71) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857601 0.89 LMNA (0.79) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857623 0.88 LMNA (0.71) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857608 0.88 LMNA (0.71) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857628 0.88 LMNA (0.62) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857594 0.86 LMNA (0.76) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL28857664 0.85 KDM4E (0.68) LMNAKDM4EHTTPOLBKMT2A
SCHEMBL26043567 0.85 LMNA (0.74) LMNAKDM4EHTTPOLBKMT2A

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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