SCHEMBL1718604

SCHEMBL1718604

NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 1.00
KDM4E B2RXH2 10/20 1.00
HPGD P15428 10/20 1.00
HSD17B10 Q99714 8/20 0.71
CASP1 P29466 5/20 0.71
ALOX15 P16050 4/20 0.71
CASP7 P55210 4/20 0.71
USP2 O75604 3/20 0.71
LMNA P02545 3/20 0.71
HTT P42858 2/20 0.71
POLB P06746 1/20 0.71
RECQL P46063 1/20 0.71
MAPT P10636 9/20 0.68
KLK7 P49862 1/20 0.68
RAB9A P51151 1/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPSR1 Q6W5P4 3/20 0.65
GAA P10253 2/20 0.65

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
SCHEMBL3278779 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1717963 0.84 ALDH1A1 (0.98) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1720090 0.83 KDM4E (0.85) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL14583941 0.81 POLB (0.69) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL10028452 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1720089 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1719135 0.80 KLK7 (0.68) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1718245 0.80 KDM4E (0.83) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL3711571 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1718642 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CASP1

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 3 patents. 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 claimed
CN-116023368-A CRBN immunomodulators 首药控股(北京)股份有限公司 2023-04-28 CN disclosed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed