SCHEMBL8699872

SCHEMBL8699872

N=C(N)NC(=O)c1ccc(C(=O)N=C(N)N)cc1-n1cccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.43
SLC9A3 P48764 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
ALDH1A1 P00352 1/20 0.39
HTR2B P41595 7/20 0.39
HTR7 P34969 5/20 0.39
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8707718 0.94 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7824958 0.84 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7822660 0.80 SLC9A1 (0.59) SLC9A1SLC9A3SLC9A2
SCHEMBL27401335 0.80 SLC9A1 (0.59) SLC9A1SLC9A3SLC9A2
SCHEMBL8707632 0.76 ALDH1A1 (0.66) ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8703973 0.75 AOC2 (0.39) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL7825554 0.75 SLC9A1 (0.55) SLC9A1SLC9A3SLC9A2HTR2BHTR7
Hydrochloric Acid SCHEMBL7825501 0.74 SLC9A1 (0.54) SLC9A1SLC9A3SLC9A2HTR2BHTR7
SCHEMBL8703469 0.73 LMNA (0.40) SLC9A1SLC9A3SLC9A2ALDH1A1CYP2C19
SCHEMBL1388036 0.73 HTR2B (0.46) SLC9A1SLC9A3SLC9A2HTR2BHTR7

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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed