SCHEMBL10958856

SCHEMBL10958856

CC(C)(Cl)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC4 P56524 1/20 0.62
▸ HDAC1 Q13547 1/20 0.62
▸ HDAC7 Q8WUI4 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HDAC10 Q969S8 1/20 0.62
▸ HDAC11 Q96DB2 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ HDAC9 Q9UKV0 1/20 0.62
▸ HDAC5 Q9UQL6 1/20 0.62
▸ GSTO1 P78417 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ LMNA P02545 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ELOVL1 Q9BW60 1/20 0.59
▸ NPC1 O15118 2/20 0.58

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
SCHEMBL2753592 0.90 MAPT (0.63) MAPTADORA3HDAC3HDAC4HDAC1
SCHEMBL10948598 0.89 MAPT (0.62) MAPTADORA3HDAC3HDAC4HDAC1
SCHEMBL2901438 0.83 NR3C1 (0.60) MAPTADORA3HDAC3HDAC4HDAC1
SCHEMBL2020280 0.82 ABL1 (0.73) MAPTADORA3GSTO1ALDH1A1RAB9A
SCHEMBL22753366 0.82 ROCK1 (0.70) MAPTADORA3GSTO1ALDH1A1RAB9A
SCHEMBL10921715 0.82 MAPT (0.72) MAPTADORA3GSTO1ALDH1A1RAB9A
SCHEMBL3823589 0.82 MAPT (0.72) MAPTADORA3GSTO1ALDH1A1RAB9A
SCHEMBL10813540 0.82 MAPT (0.88) MAPTADORA3GSTO1ALDH1A1RAB9A
SCHEMBL1621409 0.81 MAPT (0.56) MAPTADORA3HDAC3HDAC4HDAC1
SCHEMBL22753373 0.81 MAPT (0.68) MAPTHDAC3HDAC4HDAC1HDAC7

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
US-4501750-A ANTIARTHRITIC AGENTS Mitsui Toatsu Kaguku Kabushiki Kaisha (JP) 1985-02-26 — — US disclosed
EP-0069154-A1 NOVEL THIAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1983-01-12 — — EP disclosed
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