SCHEMBL3209447

SCHEMBL3209447

Cc1ccc2ccccc2c1S(=O)(=O)O.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
TSHR P16473 3/20 0.48
CYP2A6 P11509 3/20 0.48
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 4/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLO1 Q04760 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CTRB1 P17538 1/20 0.39
G6PD P11413 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 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
SCHEMBL152855 0.98 CYP2A6 (0.50) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
SCHEMBL30206834 0.96 TSHR (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Rubidium SCHEMBL31255844 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Calcium SCHEMBL31255841 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
SCHEMBL31214802 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Lithium SCHEMBL31255851 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Potassium SCHEMBL31255830 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Ammonia Solution, Strong SCHEMBL3224172 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
Magnesium SCHEMBL31255850 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1
SCHEMBL3231178 0.96 CYP1A2 (0.48) CYP1A2TSHRCYP2A6CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100053848-A1 NIOBIUM SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO., LTD (JP) 2010-03-04 US claimed
US-20100053848-A1 NIOBIUM SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO., LTD (JP) 2010-03-04 US disclosed