SCHEMBL29438656

SCHEMBL29438656

O=C1c2ccccc2CCN1Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
HTT P42858 3/20 0.60
NCOA3 Q9Y6Q9 1/20 0.59
HTR2A P28223 3/20 0.56
DRD2 P14416 3/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GRM5 P41594 1/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.51
PER2 O15055 1/20 0.51

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
SCHEMBL29657194 0.88 GRM5 (0.64) LMNASMN1; SMN2ALDH1A1L3MBTL1NCOA3
SCHEMBL30845460 0.87 GRM5 (0.51) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL31667202 0.85 GRM5 (0.52) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL2024893 0.85 KMT2A (0.59) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL29438724 0.85 GRM5 (0.52) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL29500334 0.85 DRD2 (0.54) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL29438621 0.84 GRM5 (0.49) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL7533063 0.83 GRM5 (0.67) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL29438657 0.82 ACHE (0.55) ALDH1A1DRD2GRM5ACHENPC1
SCHEMBL3372347 0.82 GRM5 (0.52) LMNASMN1; SMN2ALDH1A1L3MBTL1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 CN disclosed