SCHEMBL3241750

SCHEMBL3241750

CN(c1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(CC(N)=O)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
GRIN2B Q13224 7/20 0.42
GRIN1 Q05586 3/20 0.42
AURKA O14965 1/20 0.42
ICMT O60725 5/20 0.42
PARP1 P09874 1/20 0.41
NR1H3 Q13133 1/20 0.39
KIF11 P52732 1/20 0.38
BACE1 P56817 1/20 0.38
SCN9A Q15858 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL3244919 0.79 FYN (0.50)
SCHEMBL966493 0.72 EPHX1 (0.59) GRIN2BAURKANR1H3
SCHEMBL30496803 0.72 EPHX1 (0.59) GRIN2BAURKANR1H3
SCHEMBL5677385 0.72 EPHB4 (0.46) ICMT
SCHEMBL31217239 0.71 EGFR (0.44) RXRARXRBRXRG
SCHEMBL27160775 0.68 NR3C2 (0.53) AURKANR1H3
SCHEMBL10426059 0.67 TP53 (0.46)
SCHEMBL7782554 0.66 EGFR (0.45) RXRARXRBRXRG
SCHEMBL23296145 0.66 RXRA (0.58) RXRARXRBRXRGGRIN2BGRIN1
SCHEMBL15782613 0.66 ICMT (0.55) ICMTPARP1

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-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed