SCHEMBL5796476

SCHEMBL5796476

Cc1ccc(Cn2c(-c3c(C(N)=O)cccc3-c3ccccc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
ALDH1A1 P00352 5/20 0.35
GNRHR P30968 4/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 1/20 0.35
TNKS O95271 3/20 0.35
TNKS2 Q9H2K2 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL5792823 0.91 RXRA (0.43) RXRANR1H2NR1H3ALDH1A1GNRHR
SCHEMBL5793441 0.90 RXRA (0.42) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL5793671 0.86 RXRA (0.61) RXRANR1H2NR1H3ALDH1A1GNRHR
SCHEMBL5806479 0.85 RXRA (0.45) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2263811 0.83 NR1H2 (0.59) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL5615711 0.83 RXRA (0.44) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL4897584 0.82 NR1H2 (0.45) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL4906328 0.81 NR1H2 (0.46) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2264167 0.81 NR1H2 (0.51) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL5615714 0.80 RXRA (0.43) RXRANR1H2NR1H3

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