SCHEMBL28857600

SCHEMBL28857600

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.78
LMNA P02545 2/20 0.78
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
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.47
PKM P14618 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
SCHEMBL28857646 0.88 LMNA (1.00) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857613 0.88 LMNA (0.78) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857645 0.87 POLB (0.63) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857594 0.86 LMNA (0.76) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857612 0.84 GAA (0.57) POLBLMNAKMT2AHTTMEN1
SCHEMBL28857589 0.84 LMNA (0.66) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857618 0.81 POLB (0.53) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL27843308 0.81 LMNA (0.68) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857664 0.81 KDM4E (0.68) POLBLMNAKDM4EHIF1AEPAS1
SCHEMBL28857575 0.80 LMNA (0.66) POLBLMNAKDM4EHIF1AEPAS1

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