SCHEMBL28730712

SCHEMBL28730712

N#CCc1ccc(-c2csc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.40
▸ RXRG P48443 3/20 0.40
▸ RXRB P28702 2/20 0.40
▸ FLT3 P36888 3/20 0.38
▸ MMP3 P08254 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ QPCT Q16769 3/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL2267261 0.74 KIF11 (0.57) RXRARXRGRXRBKIF11
SCHEMBL7594667 0.73 RXRA (0.54) RXRARXRGRXRBMMP3KIF11
SCHEMBL28730706 0.73 TNF (0.38) RXRARXRGRXRBFLT3MMP3
SCHEMBL196175 0.73 MMP3 (0.50) RXRARXRGRXRBFLT3MMP3
SCHEMBL23137321 0.73 MMP3 (0.50) RXRARXRGRXRBFLT3MMP3
SCHEMBL30439382 0.71 MMP3 (0.50) RXRARXRGRXRBFLT3MMP3
SCHEMBL21774188 0.71 PDPK1 (0.44) RXRARXRGRXRBFLT3PDPK1
SCHEMBL21021174 0.70 MAOB (0.59) RXRARXRGRXRBFLT3MMP3
SCHEMBL21774316 0.69 KIF11 (0.50) PDE3BPDE3AQPCTKIF11
SCHEMBL2773349 0.68 MAOB (0.47) RXRARXRGRXRBFLT3MMP3

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-113613652-B Benzimidazole compounds and their use in the treatment of alzheimer's disease or huntington's disease 台湾卫生研究院 2022-08-23 — — CN disclosed
CN-113613652-A Benzimidazole compounds and their use for treating alzheimer's disease or huntington's disease 台湾卫生研究院 2021-11-05 — — CN disclosed
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