SCHEMBL28800663

SCHEMBL28800663

O=C(Oc1ccc(F)cn1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR2 O43614 10/20 0.39
HCRTR1 O43613 8/20 0.38
ELANE P08246 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL2474269 0.94 KMT2A (0.37) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL11658994 0.81 KMT2A (0.55) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL29257112 0.80 KDM4E (0.41) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL11658220 0.80 KMT2A (0.45) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL2472636 0.78 DGAT1 (0.47)
SCHEMBL2472635 0.78 DGAT1 (0.47)
SCHEMBL27859289 0.78 KMT2A (0.46) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL25195297 0.76 ALDH1A1 (0.52) KMT2AL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL12985792 0.75 ALDH1A1 (0.39) KMT2AL3MBTL1SMN1; SMN2TDP1MEN1
SCHEMBL15152818 0.75 DGAT1 (0.58)

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-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed