SCHEMBL14744335

SCHEMBL14744335

Nc1cc(Cl)c(-c2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.39
CACNG8 Q8WXS5 6/20 0.39
ACLY P53396 1/20 0.38
RORC P51449 5/20 0.35
GRIN2B Q13224 3/20 0.35
CACNG2 Q9Y698 1/20 0.34
PDK2 Q15119 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 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
SCHEMBL30320910 0.79 RORC (0.50) RORC
SCHEMBL14744202 0.79 RORC (0.50) RORC
SCHEMBL14746409 0.78 RORC (0.40) GRIA1CACNG8ACLYRORC
SCHEMBL14746573 0.77 CYP3A4 (0.46)
SCHEMBL28536731 0.77 ACLY (0.35) GRIA1CACNG8ACLYRORCGRIN2B
SCHEMBL14746790 0.77 ALDH1A1 (0.38) L3MBTL1
SCHEMBL31533736 0.76 KIF11 (0.41) GRIA1CACNG8GRIN2BPDK2
SCHEMBL31533735 0.75 ALDH1A1 (0.35) L3MBTL1
SCHEMBL14744191 0.75 RORC (0.44) RORC
SCHEMBL14746825 0.75 ACLY (0.41) GRIA1CACNG8ACLYRORC

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed