SCHEMBL11615840

SCHEMBL11615840

Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2)n(CCOc2ccc3ccccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 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
SCHEMBL11615627 0.92 TDP1 (0.50) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11615587 0.92 TDP1 (0.49) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11616914 0.90 TDP1 (0.44) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11612391 0.84 RAB9A (0.46) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11618222 0.84 KMT2A (0.50) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11613653 0.80 MAPT (0.52) TDP1MAPTRAB9ASLC6A2SLC6A4
SCHEMBL11616709 0.79 NPC1 (0.50) TDP1L3MBTL1MAPK1GAALMNA
SCHEMBL11618012 0.76 KMT2A (0.42) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL11612294 0.76 RAB9A (0.48) TDP1MAPK1GAALMNAALDH1A1
SCHEMBL11610558 0.74 MAPT (0.50) TDP1LMNAALDH1A1MAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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