SCHEMBL28857646

SCHEMBL28857646

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3C)o2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
POLB P06746 1/20 1.00
KDM4E B2RXH2 1/20 0.65
HIF1A Q16665 3/20 0.61
EPAS1 Q99814 3/20 0.61
KMT2A Q03164 3/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28857625 0.90 LMNA (0.81) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857636 0.90 LMNA (0.81) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857600 0.88 POLB (0.78) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857613 0.88 LMNA (0.78) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857638 0.87 LMNA (0.77) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857596 0.87 LMNA (0.77) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857594 0.86 LMNA (0.76) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857601 0.86 LMNA (0.79) LMNAPOLBKDM4EHIF1AEPAS1
SCHEMBL28857604 0.84 LMNA (0.72) LMNAPOLBKMT2AHTTMEN1
SCHEMBL27843308 0.81 LMNA (0.68) LMNAPOLBKDM4EHIF1AEPAS1

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