SCHEMBL6818658

SCHEMBL6818658

COC(=O)CNc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 2/20 0.57
F13A1 P00488 1/20 0.57
ACACB O00763 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
BLM P54132 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46

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
SCHEMBL9263240 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EF13A1ACACBALDH1A1
SCHEMBL7438653 0.81 CYP4F2 (0.46) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL10592850 0.80 KDM4E (0.84) SMN1; SMN2KDM4EF13A1ACACBALDH1A1
SCHEMBL7486468 0.80 TAAR1 (0.46) SMN1; SMN2KDM4EALDH1A1HPGDBLM
SCHEMBL7151292 0.78 POLB (0.49) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL14431407 0.77 KDM4E (0.68) SMN1; SMN2KDM4EF13A1ALDH1A1LMNA
SCHEMBL6249295 0.77 POLB (0.49) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL7393169 0.77 RAB9A (0.57) SMN1; SMN2MAPT
SCHEMBL9331570 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EF13A1ACACBALDH1A1
SCHEMBL6821960 0.76 FFAR1 (0.52) SMN1; SMN2KDM4EALDH1A1HPGD

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-2004050646-A1 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B ASTRAZENECA AB (SE) 2004-06-17 WO disclosed