SCHEMBL2466032

SCHEMBL2466032

O=S(=O)(c1ccccc1)c1c[nH]c(-c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.62
▸ POLB P06746 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL725818 0.79 HTR6 (0.65) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL724590 0.73 HTR6 (0.71) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL29743955 0.73 HTR6 (0.84) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL2464508 0.72 HTR6 (0.56) HTR6L3MBTL1CYP3A4DRD2HTR2A
SCHEMBL426117 0.72 HTR6 (0.68) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL4941443 0.71 HTR6 (0.80) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL29564964 0.70 HTR6 (0.65) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL28745820 0.70 HTR6 (0.65) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL9095357 0.70 HTR6 (0.65) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL428128 0.69 HTR6 (0.68) HTR6POLBL3MBTL1MEN1ALDH1A1

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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