SCHEMBL9928504

SCHEMBL9928504

NC(O)c1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 3/20 0.43
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
P2RX7 Q99572 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1242284 0.85 KCNA5 (0.47) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1240803 0.85 KCNA5 (0.52) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1243292 0.83 POLB (0.54) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1243207 0.83 POLB (0.50) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1242039 0.80 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1243334 0.80 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1242037 0.80 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1242829 0.80 P2RX7 (0.46) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1242226 0.79 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1243271 0.79 ALDH1A1 (0.47) KCNA5ALDH1A1KDM4EHSD17B10POLB

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-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed