SCHEMBL9682946

SCHEMBL9682946

O=C(O)c1cncnc1NCc1ccc(-c2ccccc2C2N=NN=N2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.65
AGTR1 P30556 9/20 0.65
CYP1A2 P05177 8/20 0.48
CYP3A4 P08684 8/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP2D6 P10635 6/20 0.44
CYP2C19 P33261 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 4/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 3/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CLK4 Q9HAZ1 2/20 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
SCHEMBL9590363 0.87 AGTR1 (0.68) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL18070889 0.76 AGTR1 (0.56) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL9591685 0.76 AGTR1 (0.71) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL6609133 0.71 AGTR1 (0.58) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL6605088 0.70 AGTR1 (0.55) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL3712006 0.70 RPS6KB1 (0.63) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL27391310 0.68 CYP11B1 (0.41) AGTR2AGTR1
SCHEMBL9386452 0.68 NR2F2 (0.64) AGTR2AGTR1CYP1A2CYP3A4HSD17B10
SCHEMBL5078942 0.66 CFD (0.56) AGTR2AGTR1ALDH1A1KDM4EUSP2
SCHEMBL27523674 0.66 ADRA2A (0.39) HSD17B10ALDH1A1MAPK1HPGD

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-0475206-A2 Angiotensin II receptor antagonists ABBOTT LABORATORIES (US) 1992-03-18 EP disclosed