SCHEMBL28857585

SCHEMBL28857585

Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Br)cc3C)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.66
POLB P06746 2/20 0.66
HIF1A Q16665 1/20 0.60
EPAS1 Q99814 1/20 0.60
DHODH Q02127 1/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
FPR1 P21462 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
SCHEMBL28857604 0.88 LMNA (0.72) LMNAPOLBDHODHMAPTSMN1; SMN2
SCHEMBL28857591 0.88 HIF1A (0.60) LMNAPOLBHIF1AEPAS1MAPT
SCHEMBL28857605 0.88 HIF1A (0.60) LMNAPOLBHIF1AEPAS1MAPT
SCHEMBL28955070 0.80 LMNA (0.64) LMNAPOLBDHODHMAPTSMN1; SMN2
SCHEMBL28857646 0.79 LMNA (1.00) LMNAPOLBHIF1AEPAS1SMN1; SMN2
SCHEMBL28857580 0.77 LMNA (0.66) LMNAPOLBHIF1AEPAS1DHODH
SCHEMBL28857626 0.76 PTGDR2 (0.58) LMNAPOLBMAPTSMN1; SMN2CYP3A4
SCHEMBL25154861 0.76 HIF1A (0.64) LMNAPOLBHIF1AEPAS1MAPT
SCHEMBL27715515 0.76 HTT (0.56) LMNAPOLBHIF1AEPAS1MAPT
SCHEMBL28857612 0.75 GAA (0.57) LMNAPOLBMAPTSMN1; SMN2CYP3A4

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