SCHEMBL5132403

SCHEMBL5132403

CCOc1cc(-c2cc(C(F)F)n3ncc(C(=O)O)c3n2)ccc1CC(F)C(F)CCCF

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 12/20 0.48
KMT2A Q03164 6/20 0.48
TSHR P16473 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 3/20 0.48
USP2 O75604 2/20 0.48
KDM4E B2RXH2 9/20 0.45
HPGD P15428 7/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP1 P29466 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5132402 0.80 MAPT (0.54) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL312089 0.79 MAPT (0.61) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL5132401 0.77 MAPT (0.56) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL312494 0.72 KDM4E (0.54) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL30576174 0.71 KMT2A (0.59) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4211561 0.71 KMT2A (0.73) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4210055 0.70 ALDH1A1 (0.76) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4211047 0.69 LMNA (0.74) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL312804 0.69 TP53 (0.56) MAPTALDH1A1KMT2ATSHRHSD17B10
SCHEMBL312447 0.69 TP53 (0.63) MAPTALDH1A1KMT2ATSHRHSD17B10

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
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed