SCHEMBL3707776

SCHEMBL3707776

Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.83
HPGD P15428 10/20 0.83
L3MBTL1 Q9Y468 1/20 0.83
ALDH1A1 P00352 14/20 0.81
KDM4E B2RXH2 11/20 0.81
HSD17B10 Q99714 8/20 0.81
CASP1 P29466 3/20 0.81
USP2 O75604 2/20 0.78
POLB P06746 1/20 0.78
KMT2A Q03164 7/20 0.76
MEN1 O00255 6/20 0.76
TLR4 O00206 1/20 0.73
NPSR1 Q6W5P4 2/20 0.70
HTT P42858 2/20 0.70
MAPT P10636 2/20 0.70
CASP7 P55210 2/20 0.70
LMNA P02545 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.68
GAA P10253 2/20 0.63

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
SCHEMBL4216633 0.91 TSHR (1.00) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4213854 0.90 ALDH1A1 (1.00) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4205349 0.89 KDM4E (0.83) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4205363 0.87 ALDH1A1 (1.00) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4211561 0.84 KMT2A (0.73) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL4206201 0.83 ALDH1A1 (1.00) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4204438 0.82 ALDH1A1 (0.78) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4204303 0.81 HPGD (0.82) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4209666 0.79 KDM4E (0.84) TSHRHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL4203027 0.77 KDM4E (0.75) TSHRHPGDL3MBTL1ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed