SCHEMBL7220141

SCHEMBL7220141

COc1cc(NC(=O)Cc2cccc(NC(=O)C3(c4cc(F)ccc4Cl)C=C(Cl)ON3)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 5/20 0.43
HTT P42858 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 4/20 0.43
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 4/20 0.38
FBP1 P09467 1/20 0.38
STAT3 P40763 1/20 0.38
RET P07949 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5773731 0.73 PTGS2 (0.51) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL5770740 0.72 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL6692601 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL29963704 0.70 SMN1; SMN2 (1.00) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL7499779 0.69 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL5771902 0.69 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL6696054 0.68 PTGS2 (0.45) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL5774427 0.67 POLB (0.47) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL5778314 0.67 MAPT (0.59) SMN1; SMN2MAPTHTTLMNAABCB1
SCHEMBL7876671 0.66 SMN1; SMN2 (0.75) SMN1; SMN2MAPTHTTKMT2AMEN1

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-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed