SCHEMBL8958457

SCHEMBL8958457

Cc1c(Br)cnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 1/20 0.45
CYP19A1 P11511 3/20 0.41
PDE8A O60658 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
CHKA P35790 1/20 0.35
AKT1 P31749 3/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PPARG P37231 2/20 0.33
WNT3A P56704 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RY12 Q9H244 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL8872592 0.89 AGTR1 (0.50) AGTR1AGTR2AKT1PPARGTLR7
SCHEMBL8872862 0.76 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL8873957 0.75 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL9016407 0.73 ALDH1A1 (0.38) AGTR1AGTR2CYP19A1PPARGKDM4E
SCHEMBL8876882 0.73 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL8872236 0.73 AGTR1 (0.69) AGTR1AGTR2AKT1PPARG
SCHEMBL8873176 0.72 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL8872697 0.72 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8872422 0.71 PPARG (0.53) AGTR1AGTR2PPARG
SCHEMBL8958505 0.69 AGTR1 (0.81) AGTR1AGTR2PPARG

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-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed