SCHEMBL19204899

SCHEMBL19204899

Cc1ccc(S(=O)(=O)n2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.61
▸ ALDH3A1 P30838 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NOD1 Q9Y239 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ YTHDC1 Q96MU7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL28802463 0.88 P2RX7 (0.47) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL19746470 0.87 P2RX7 (0.46) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL29601383 0.86 P2RX7 (0.61) P2RX7ALDH3A1NOD1ALDH1A1HDAC3
SCHEMBL29601246 0.86 P2RX7 (0.57) P2RX7NOD1HTTALDH1A1LMNA
SCHEMBL19745997 0.82 L3MBTL1 (0.48) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL27902479 0.78 HTT (0.53) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL1015615 0.77 ALDH1A1 (0.43) ALDH3A1L3MBTL1NOD1POLBHTT
SCHEMBL1015374 0.77 L3MBTL1 (0.52) ALDH3A1L3MBTL1NOD1POLBHTT
SCHEMBL29601252 0.74 P2RX7 (0.56) P2RX7YTHDC1ALDH1A1LMNAHDAC3
SCHEMBL2203328 0.74 LMNA (0.44) ALDH3A1L3MBTL1NOD1HTTYTHDC1

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
WO-2017133664-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
CN-102850355-B 9-sulfonyl-9H-purine derivatives, and preparation method and use thereof UNIV SICHUAN 2015-02-11 — — CN disclosed
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