SCHEMBL11029613

SCHEMBL11029613

CC(=O)c1c(N)ccc(S(=O)(=O)c2ccc(N)cc2)c1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 4/20 0.47
HTR6 P50406 3/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
DHFR P00374 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HKDC1 Q2TB90 1/20 0.40
NT5E P21589 1/20 0.40
HSD11B1 P28845 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL11035205 0.76 HTR6 (0.50) PKMHTR6LMNAALDH1A1KMT2A
SCHEMBL9713812 0.75 PKM (0.49) PKMCYP2C19TSHRHTR6LMNA
SCHEMBL27842733 0.74 THRB (0.47) PKMLMNACYP3A4ALDH1A1NPC1
Dapsone SCHEMBL1533643 0.73 TSHR (0.73) PKMCYP2C19TSHRHTR6LMNA
Dapsone SCHEMBL27601804 0.73 TSHR (0.73) PKMCYP2C19TSHRHTR6LMNA
SCHEMBL8003877 0.73 HTR6 (0.54) PKMCYP2C19TSHRHTR6LMNA
SCHEMBL927344 0.72 HTR6 (0.58) PKMCYP2C19TSHRHTR6LMNA
Dapsone SCHEMBL28433097 0.70 TSHR (0.67) PKMCYP2C19TSHRHTR6LMNA
SCHEMBL1703357 0.70 HTR6 (0.60) PKMTSHRHTR6LMNAMPO
SCHEMBL17774709 0.70 HTR6 (0.62) PKMTSHRHTR6LMNAMPO

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
EP-0019403-B1 HYDROXYALKYL-STARCH DRUG CARRIER AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-07-31 EP disclosed
EP-0028641-A4 HYDROXYALKYL STARCH DRUG CARRIER. AMERICAN HOSPITAL SUPPLY CORP (US) 1981-09-01 EP disclosed
EP-0028641-A1 HYDROXYALKYL STARCH DRUG CARRIER. AMERICAN HOSPITAL SUPPLY CORP (US) 1981-05-20 EP disclosed
WO-1980002374-A1 HYDROXYALKYL STARCH DRUG CARRIER AMERICAN HOSPITAL SUPPLY CORP (US) 1980-11-13 WO disclosed