SCHEMBL8290385

SCHEMBL8290385

NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCC2

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
MAPT P10636 3/20 0.74
ALDH1A1 P00352 2/20 0.74
LMNA P02545 1/20 0.74
GAA P10253 1/20 0.74
NPC1 O15118 7/20 0.71
RAB9A P51151 7/20 0.71
CASP3 P42574 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
TLR2 O60603 2/20 0.68
FLT3 P36888 6/20 0.67
TNIK Q9UKE5 1/20 0.64
ANO1 Q5XXA6 1/20 0.63
KDM4E B2RXH2 1/20 0.61
EPHB4 P54760 1/20 0.60
CFTR P13569 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL5450860 0.97 MEN1 (0.78) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5448370 0.90 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL18015730 0.89 KCNH2 (0.71) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5455976 0.87 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4234573 0.86 FLT3 (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8288770 0.86 FLT3 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5455065 0.85 MEN1 (0.79) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5462791 0.85 FLT3 (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5467902 0.85 FLT3 (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5446174 0.84 FLT3 (0.71) MEN1KMT2AMAPTALDH1A1LMNA

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