SCHEMBL5872384

SCHEMBL5872384

O=S(=O)(O)c1nc2c(Cc3ccccc3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DAO P14920 1/20 0.39
GAA P10253 3/20 0.39
ALKBH3 Q96Q83 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
FEN1 P39748 1/20 0.37
HTR6 P50406 2/20 0.37
DHODH Q02127 1/20 0.37
PNP P00491 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
SCHEMBL1984812 0.79 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL16134523 0.77 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL5872387 0.77 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5858378 0.77 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19GAAHSD17B10
SCHEMBL6675098 0.77 L3MBTL1 (0.55) L3MBTL1GAAHSD17B10DHODHCNR2
SCHEMBL16278 0.77 L3MBTL1 (0.55) L3MBTL1GAAHSD17B10DHODHCNR2
SCHEMBL16134527 0.76 KDM4E (0.57) L3MBTL1KDM4EHPGDDHODH
SCHEMBL9307952 0.76 NPC1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9306184 0.76 GAA (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5071826 0.76 PNP (0.52) CYP3A4GAAALDH1A1PNP

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