SCHEMBL5793671

SCHEMBL5793671

N#Cc1c(C(F)(F)F)cc(-c2c(C(N)=O)cccc2-c2ccccc2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.61
NR1H2 P55055 3/20 0.61
NR1H3 Q13133 3/20 0.61
GNRHR P30968 6/20 0.39
MAPK14 Q16539 2/20 0.39
PARP1 P09874 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
RIPK3 Q9Y572 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL5598178 0.90 RXRA (0.58) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL5597884 0.89 RXRA (0.57) RXRANR1H2NR1H3GNRHRALDH1A1
SCHEMBL5816750 0.88 RXRA (0.61) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL5796476 0.86 RXRA (0.44) RXRANR1H2NR1H3GNRHRPARP1
SCHEMBL5597859 0.84 RXRA (0.61) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL2262731 0.83 RXRA (0.83) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL14214340 0.81 RXRA (0.75) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL2386543 0.81 RXRA (0.62) RXRANR1H2NR1H3MAPK14TNKS
SCHEMBL14214400 0.81 RXRA (0.84) RXRANR1H2NR1H3GNRHRMAPK14
SCHEMBL2389509 0.81 RXRA (0.63) RXRANR1H2NR1H3MAPK14ALDH1A1

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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed