SCHEMBL8288671

SCHEMBL8288671

CCOC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
FLT3 P36888 5/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 5/20 0.63
TSHR P16473 5/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HPGD P15428 1/20 0.63
MAPK1 P28482 1/20 0.63
ANO1 Q5XXA6 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
MAPK10 P53779 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 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
SCHEMBL8289712 0.97 KDM4E (0.67) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL4390871 0.89 MAPT (0.73) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL5455182 0.87 MAPT (0.81) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL8289499 0.87 ALDH1A1 (0.73) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL8289688 0.86 ALDH1A1 (0.76) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL8289834 0.84 KDM4E (0.70) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL5467546 0.83 FLT3 (0.76) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL5453467 0.80 FLT3 (1.00) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL5452975 0.80 MAPT (1.00) MAPTFLT3LMNAMEN1KMT2A
SCHEMBL11485439 0.80 PTPN1 (0.78) MAPTFLT3LMNAMEN1KMT2A

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
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
US-4234581-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-4159377-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1979-06-26 US disclosed
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 US disclosed