SCHEMBL11613508

SCHEMBL11613508

Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n(CCOc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ F2 P00734 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MITF O75030 1/20 0.36

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
SCHEMBL11616709 0.83 NPC1 (0.50) SMN1; SMN2F2KMT2AGAAMEN1
SCHEMBL11615587 0.76 TDP1 (0.49) SMN1; SMN2F2MAPTKMT2AGAA
SCHEMBL11615627 0.75 TDP1 (0.50) SMN1; SMN2MAPTKMT2AGAAMEN1
SCHEMBL11616914 0.74 TDP1 (0.44) SMN1; SMN2MAPTKMT2AGAAMEN1
SCHEMBL11615840 0.73 TDP1 (0.48) SMN1; SMN2MAPTKMT2AGAAMEN1
SCHEMBL11612842 0.69 KMT2A (0.52) SMN1; SMN2MAPTKMT2AGAAMEN1
SCHEMBL11618222 0.69 KMT2A (0.50) SMN1; SMN2F2MAPTKMT2AGAA
SCHEMBL11613524 0.69 ALDH1A1 (0.43) SMN1; SMN2F2MAPTKMT2AMEN1
SCHEMBL11612391 0.68 RAB9A (0.46) SMN1; SMN2MAPTKMT2AGAAMEN1
SCHEMBL9508889 0.68 ALPL (0.46) SMN1; SMN2MAPTKMT2AGAAMEN1

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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