SCHEMBL11248429

SCHEMBL11248429

O=S1(=O)NC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKR1B1 P15121 1/20 0.41
GPR55 Q9Y2T6 3/20 0.38
ESR1 P03372 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR2 Q92731 2/20 0.38
TYMS P04818 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL11240630 0.86 CYP2C9 (0.37) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL5523699 0.71 KMT2A (0.39) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL17169742 0.67 KMT2A (0.39) MEN1KMT2ALMNACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL17836 0.67 MEN1 (1.00) MEN1KMT2ALMNACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL29357178 0.67 MEN1 (1.00) MEN1KMT2ALMNACYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL446104 0.66 KMT2A (0.38) MEN1KMT2ALMNACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL1157401 0.66 MEN1 (0.97) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL10049655 0.64 KMT2A (0.50) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL29508189 0.64 KMT2A (0.50) MEN1KMT2ALMNACYP1A2CYP2C9
SCHEMBL7685977 0.63 KMT2A (0.35) MEN1KMT2ALMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359574-A Thiazine-1,1-dioxide and isothiazole-1,1-dioxide derivatives POLAROID CORPORATION (US) 1982-11-16 US disclosed
US-4311839-A Benzisothiazole and naphtho-1,2-thiazine compounds POLAROID CORPORATION (US) 1982-01-19 US disclosed
US-4283537-A Thiazine-1,1-dioxide and isothiazole-1,1-dioxide derivatives and process for preparation POLAROID CORPORATION (US) 1981-08-11 US disclosed
US-4259498-A Process for preparing benzisothiazole-1,1-dioxide and naphtho-1,2-thiazine-1,1-dioxide compounds POLAROID CORPORATION (US) 1981-03-31 US disclosed
US-4255578-A Synthesis of perhalomethylcarbinol-substituted phenol and naphthol sulfamphthalein dyes from the corresponding triacylated derivatives POLAROID CORPORATION (US) 1981-03-10 US disclosed
US-4231929-A Sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-11-04 US disclosed
US-4228075-A Novel sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-10-14 US disclosed
US-4210752-A Synthesis of substituted sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-07-01 US disclosed
US-4204061-A Sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-05-20 US disclosed
US-4195180-A Sulfam (na) phthaleins POLAROID CORPORATION (US) 1980-03-25 US disclosed
US-4191689-A Benzisothiazole-1,1-dioxide and naphtho-1,2-thiazine-1,1-dioxide compounds POLAROID CORPORATION (US) 1980-03-04 US disclosed
US-4178446-A Sulfam(na)phthaleins POLAROID CORPORATION (US) 1979-12-11 US disclosed
US-4178447-A Novel synthesis of 3,3-substituted dihydrobenzisothiazole-1,1-dioxides and -2,3-dihydronaphtho-1,2-thiazine-1,1-dioxides POLAROID CORPORATION (US) 1979-12-11 US disclosed