SCHEMBL6442007

SCHEMBL6442007

O=S(=O)(O)c1ccc2c(c1)CC=CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ING2 Q9H160 1/20 0.38
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NT5E P21589 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 1/20 0.33
PKM P14618 2/20 0.32
NPC1 O15118 1/20 0.32
PKLR P30613 1/20 0.32

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
SCHEMBL277262 0.74
SCHEMBL10422904 0.74 CA1 (0.55) CA1CA2CA12CA7CA14
Sulfuric Acid SCHEMBL1172770 0.74 MAOA (0.33) ALDH1A1HSD17B10LMNATSHRKDM4E
Sulfuric Acid SCHEMBL8575030 0.74 MAOA (0.33) ALDH1A1HSD17B10LMNATSHRKDM4E
Sulfamate SCHEMBL8236065 0.71 CA2 (0.33) CA1CA2HSD17B10LMNATSHR
SCHEMBL5395777 0.71 TDP1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL10350248 0.71 MAPT (0.47) CA2CA12ALDH1A1LMNATDP1
SCHEMBL30311540 0.70 CA1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL27052187 0.70 CA1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL6950688 0.70 MEN1 (0.43) CA1CA2CA12ALDH1A1HSD17B10

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
EP-1608643-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2005-12-28 EP disclosed
WO-2004083204-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-09-30 WO disclosed