SCHEMBL27936044

SCHEMBL27936044

C=CC(c1cccc(C(C)(C)C)c1)S(=O)(=O)n1ccc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTR6 P50406 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL27677914 0.81 HTR6 (0.42) HTTMAPTNPSR1RAPGEF4TDP1
SCHEMBL28750987 0.78 HTT (0.46) HTTMAPTNPSR1RAPGEF4TDP1
SCHEMBL12096726 0.73 HTR6 (0.63) HTTMAPTNPSR1RAPGEF4TDP1
SCHEMBL27750239 0.73 HTR6 (0.35) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27750242 0.73 HTR6 (0.35) HTR6SLC6A2SLC6A4PPARG
SCHEMBL27936029 0.71 RXRA (0.36) HDAC10HDAC6PPARG
SCHEMBL27771328 0.70 HTR6 (0.38) HTR6HDAC1HDAC2HDAC6SLC6A2
SCHEMBL27936043 0.68 HDAC3 (0.42) HTTMAPTNPSR1RAPGEF4TDP1
SCHEMBL29527994 0.67 HTR6 (0.56) HTTMAPTNPSR1RAPGEF4TDP1
SCHEMBL27867741 0.66 HTR6 (0.42) HTR6PPARGPGR

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-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 — — CN disclosed
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