SCHEMBL10451885

SCHEMBL10451885

O=[N+]([O-])c1ccc(-c2ccccc2S(=O)(=O)c2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ LMNA P02545 3/20 0.50
▸ CA12 O43570 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ PTPRC P08575 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ S100A4 P26447 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MAPT P10636 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
SCHEMBL20380176 0.88 KMT2A (0.54) KMT2AMEN1LMNACA12CA2
SCHEMBL10864758 0.86 CA1 (0.59) KMT2AMEN1LMNACA12CA2
SCHEMBL6297036 0.86 LMNA (0.65) KMT2AMEN1LMNACA12CA2
SCHEMBL29481486 0.86 CA1 (0.59) KMT2AMEN1LMNACA12CA2
SCHEMBL11647391 0.86 LMNA (0.48) KMT2AMEN1LMNACA12CA2
SCHEMBL20379706 0.83 NAMPT (0.51) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL28240316 0.81 ALDH1A1 (0.58) KMT2AMEN1LMNACA12CA2
SCHEMBL10864649 0.80 LMNA (0.43) KMT2AMEN1LMNACA12CA2
SCHEMBL6626958 0.80 ALOX5AP (0.53) KMT2AMEN1LMNACA12CA2
SCHEMBL11842004 0.77 KMT2A (0.61) KMT2AMEN1LMNACA12CA2

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
EP-0256486-B1 A METHOD OF PRODUCING ALKALI METAL BENZENESULFINATES SEITETSU KAGAKU CO. LTD. (JP) 1990-12-05 — — EP disclosed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 — — US disclosed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 — — EP disclosed
Send feedback