SCHEMBL20819986

SCHEMBL20819986

NC(N)=NC(=O)c1nc(N)c(N)nc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.66
SLC9A1 P19634 6/20 0.66
CYP1A2 P05177 5/20 0.66
SLC9A5 Q14940 5/20 0.66
ALDH1A1 P00352 4/20 0.66
TSHR P16473 4/20 0.66
KDM4E B2RXH2 3/20 0.66
GLA P06280 3/20 0.66
HPGD P15428 3/20 0.66
HSD17B10 Q99714 3/20 0.66
LMNA P02545 3/20 0.66
CYP2D6 P10635 3/20 0.66
GAA P10253 2/20 0.66
FTO Q9C0B1 2/20 0.66
ADORA2A P29274 2/20 0.66
CYP2C19 P33261 2/20 0.66
OPRM1 P35372 2/20 0.66
SLC22A1 O15245 1/20 0.66
HTR1A P08908 1/20 0.66
MAOA P21397 1/20 0.66

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
SCHEMBL2690754 0.85 PLAU (0.83) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
Amiloride SCHEMBL27563 0.79 PLAU (1.00) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
Amiloride SCHEMBL29531132 0.79 PLAU (1.00) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
Amiloride SCHEMBL4155066 0.78 ALDH1A1 (1.00) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
SCHEMBL6017198 0.77 PDPK1 (0.45) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
Amiloride SCHEMBL136682 0.77 PLAU (0.93) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
Amiloride SCHEMBL871514 0.75 PLAU (0.90) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
SCHEMBL10087514 0.75 PLAU (0.73) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
SCHEMBL19341331 0.73 PLAU (0.69) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1
SCHEMBL2850325 0.73 TDP1 (0.52) PLAUSLC9A1CYP1A2SLC9A5ALDH1A1

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-20190083527-A1 METHOD OF ADMINISTRATION AND TREATMENT Ampersand Biopharmaceuticals, Inc. (US) 2019-03-21 US disclosed