SCHEMBL1718705

SCHEMBL1718705

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
MAPT P10636 7/20 0.77
KDM4E B2RXH2 7/20 0.77
HPGD P15428 7/20 0.77
HSD17B10 Q99714 5/20 0.77
CASP1 P29466 3/20 0.77
HTT P42858 2/20 0.77
CASP7 P55210 2/20 0.77
MAPK1 P28482 1/20 0.77
TP53 P04637 3/20 0.75
THRB P10828 2/20 0.68
POLB P06746 2/20 0.68
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX15 P16050 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
KLK7 P49862 1/20 0.56

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 0.87 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1718709 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1719644 0.79 HPGD (0.68) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1720089 0.78 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3278779 0.77 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1720090 0.77 KDM4E (0.85) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1718997 0.77 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1718604 0.77 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1718245 0.74 KDM4E (0.83) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1719135 0.74 KLK7 (0.68) ALDH1A1MAPTKDM4EHPGDHSD17B10

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