SCHEMBL28857591

SCHEMBL28857591

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.60
EPAS1 Q99814 1/20 0.60
POLB P06746 3/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER1 P34995 4/20 0.46
TP53 P04637 1/20 0.46
P2RY14 Q15391 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
SCHEMBL28857626 0.89 PTGDR2 (0.58) POLBPTGDR2LMNASMN1; SMN2MAPT
SCHEMBL28857605 0.88 HIF1A (0.60) HIF1AEPAS1POLBPTGDR2LMNA
SCHEMBL28857585 0.88 LMNA (0.66) HIF1AEPAS1POLBPTGDR2LMNA
SCHEMBL28857613 0.79 LMNA (0.78) HIF1AEPAS1POLBLMNAMAPT
SCHEMBL28857604 0.78 LMNA (0.72) POLBPTGDR2LMNASMN1; SMN2MAPT
SCHEMBL28857612 0.78 GAA (0.57) POLBPTGDR2LMNASMN1; SMN2MAPT
SCHEMBL28857659 0.77 POLB (0.50) POLBLMNASMN1; SMN2MAPTGAA
SCHEMBL23846633 0.77 HIF1A (0.47) HIF1AEPAS1POLBLMNASMN1; SMN2
SCHEMBL25154861 0.76 HIF1A (0.64) HIF1AEPAS1POLBLMNASMN1; SMN2
SCHEMBL27715515 0.76 HTT (0.56) HIF1AEPAS1POLBLMNASMN1; SMN2

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