SCHEMBL1718600

SCHEMBL1718600

O=C(Nc1cccc(Cl)c1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.73
HSD17B10 Q99714 7/20 0.73
MAPT P10636 6/20 0.73
CASP1 P29466 6/20 0.73
RAB9A P51151 1/20 0.73
ALDH1A1 P00352 11/20 0.70
HPGD P15428 9/20 0.67
GAA P10253 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
THRB P10828 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
POLB P06746 3/20 0.64
TP53 P04637 2/20 0.63
LMNA P02545 2/20 0.63
CASP7 P55210 4/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 2/20 0.61
USP2 O75604 4/20 0.60
ADRB2 P07550 1/20 0.59
CYP3A4 P08684 1/20 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
SCHEMBL1718995 0.87 KDM4E (0.78) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1718852 0.87 KDM4E (0.78) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1719545 0.86 KDM4E (0.71) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1718520 0.85 THRB (0.75) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL1718245 0.84 KDM4E (0.83) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1720090 0.84 KDM4E (0.85) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1718632 0.83 THRB (0.75) KDM4EHSD17B10MAPTRAB9AALDH1A1
SCHEMBL1718041 0.83 KDM4E (0.83) KDM4EHSD17B10MAPTCASP1RAB9A
SCHEMBL1719068 0.83 THRB (0.74) KDM4EHSD17B10MAPTTHRBRXFP1
SCHEMBL1718681 0.82 KDM4E (0.70) KDM4EHSD17B10MAPTCASP1RAB9A

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