SCHEMBL8290766

SCHEMBL8290766

C=CCCC(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPK10 P53779 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RAB9A P51151 1/20 0.68
KDM4E B2RXH2 3/20 0.67
MAPK1 P28482 1/20 0.67
HPGD P15428 4/20 0.63
LMNA P02545 3/20 0.63
FLT3 P36888 5/20 0.63
GAA P10253 2/20 0.61
TSHR P16473 3/20 0.60
MAPT P10636 3/20 0.60
GFER P55789 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CDK2 P24941 1/20 0.60
HSD17B10 Q99714 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL8289828 0.97 FLT3 (0.67) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL8289841 0.96 HPGD (0.69) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL4135422 0.83 HPGD (0.83) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL8290636 0.82 MAPT (0.64) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL5465217 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL3453230 0.81 FLT3 (0.71) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL5455950 0.81 HPGD (0.83) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL5804235 0.81 HPGD (0.71) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL8289412 0.80 KDM4E (1.00) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A
SCHEMBL5804129 0.80 KDM4E (0.75) ALDH1A1SMN1; SMN2MAPK10MEN1KMT2A

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed