SCHEMBL2175098

SCHEMBL2175098

CCC(Oc1cccc2c(S(=O)(=O)NC(=O)Nc3nc(C)c(OC)s3)cn(C)c12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.55
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABL1 P00519 1/20 0.32
ACP1 P24666 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2174020 0.88 FBP1 (0.69) FBP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2926009 0.86 FBP1 (0.61) FBP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL2176664 0.83 FBP1 (0.59) FBP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL2174032 0.83 FBP1 (0.75) FBP1
SCHEMBL2175926 0.72 FBP1 (0.81) FBP1ALDH1A1NPC1RAB9ACYP2C9
SCHEMBL2178259 0.71 FBP1 (1.00) FBP1
SCHEMBL3156546 0.70 FBP1 (0.84) FBP1
SCHEMBL2176938 0.69 FBP1 (0.80) FBP1
SCHEMBL2932042 0.69 FBP1 (0.82) FBP1
SCHEMBL2176079 0.68 FBP1 (0.86) FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed