SCHEMBL2464508

SCHEMBL2464508

O=S(=O)(c1ccccc1)c1c[nH]c(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.56
▸ DRD2 P14416 4/20 0.52
▸ HTR2A P28223 3/20 0.52
▸ HTR7 P34969 3/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL724278 0.77 HTR6 (0.61) HTR6DRD2HTR2AHTR7CA12
SCHEMBL29728507 0.77 HTR6 (0.61) HTR6DRD2HTR2AHTR7CA12
SCHEMBL3644542 0.73 HTR6 (1.00) HTR6DRD2HTR2AHTR7CA12
SCHEMBL2466032 0.72 HTR6 (0.62) HTR6DRD2HTR2AHTR7L3MBTL1
SCHEMBL15909609 0.71 HTR6 (0.46) HTR6DRD2HTR2AHTR7CA12
SCHEMBL15135563 0.71 TUBB4A (0.49) HTR6DRD2HTR2AHTR7CA12
SCHEMBL14365336 0.70 HTR6 (0.58) HTR6DRD2HTR2AHTR7CA12
SCHEMBL14451017 0.70 HTR6 (0.85) HTR6DRD2HTR2AHTR7CA12
SCHEMBL724446 0.69 HTR6 (0.65) HTR6DRD2HTR2AHTR7CA12
SCHEMBL29728504 0.69 HTR6 (0.65) HTR6DRD2HTR2AHTR7CA12

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
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 — — EP disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 — — WO disclosed
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