SCHEMBL1718709

SCHEMBL1718709

CN(C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.70
KDM4E B2RXH2 11/20 0.70
HPGD P15428 9/20 0.70
HSD17B10 Q99714 9/20 0.70
MAPT P10636 9/20 0.70
CASP1 P29466 6/20 0.70
CASP7 P55210 4/20 0.70
HTT P42858 2/20 0.70
MAPK1 P28482 1/20 0.70
ALOX15 P16050 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
BLM P54132 1/20 0.69
THRB P10828 2/20 0.59
KLK7 P49862 1/20 0.59
USP2 O75604 2/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
TSHR P16473 2/20 0.59

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
SCHEMBL1718443 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1718705 0.80 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3278779 0.78 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1718604 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1719135 0.77 KLK7 (0.68) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10028452 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1717963 0.75 ALDH1A1 (0.98) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4208548 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1718517 0.73 KLK7 (0.61) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1720089 0.73 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10MAPT

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-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed