SCHEMBL5872387

SCHEMBL5872387

O=S(=O)(O)c1nc2cccc(Cc3ccccc3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
DAO P14920 1/20 0.45
FEN1 P39748 2/20 0.43
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PNP P00491 1/20 0.36
MEN1 O00255 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1984814 0.79 L3MBTL1 (0.48) L3MBTL1KMT2ACYP2C19GAAHSD17B10
SCHEMBL31402009 0.77 L3MBTL1 (0.60) L3MBTL1KMT2ACYP2C9CYP2C19GAA
SCHEMBL28217562 0.77 GAA (0.60) DAOKMT2AGAAKDM4EPNP
SCHEMBL5872384 0.77 L3MBTL1 (0.53) L3MBTL1DAOFEN1CYP2C9CYP2C19
SCHEMBL5858387 0.77 L3MBTL1 (0.46) L3MBTL1GAAHSD17B10ALDH1A1HTT
SCHEMBL16279 0.77 L3MBTL1 (0.55) L3MBTL1FEN1CYP2C9CYP2C19GAA
SCHEMBL6675102 0.77 L3MBTL1 (0.55) L3MBTL1FEN1CYP2C9CYP2C19GAA
SCHEMBL5071828 0.76 LTB4R (0.50) DAOFEN1KMT2AGAAALDH1A1
SCHEMBL9307943 0.76 DAO (0.46) DAOFEN1KMT2ACYP2C9CYP2C19
SCHEMBL13469303 0.76 GAA (0.46) L3MBTL1DAOFEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7040929-B2 Surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2006-05-09 US disclosed
US-7015332-B2 2-thioalkyl-benzimidazole-5 or 6 sulphonic acids AGFA GEVAERT (BE) 2006-03-21 US disclosed
US-20050053871-A1 Novel surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT N.V. (BE) 2005-03-10 US disclosed
US-6780576-B1 Surfactants AGFA-GEVAERT (BE) 2004-08-24 US disclosed