SCHEMBL8316985

SCHEMBL8316985

Nc1c(C(F)(F)F)ccc(F)c1CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
MPL P40238 2/20 0.32
KDM1A O60341 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL102339 0.74 KIF11 (0.41) KIF11MPLKDM1AGLAPOLB
SCHEMBL2749699 0.73 KIF11 (0.44) KIF11MPLKDM1AGLAPOLB
SCHEMBL2776951 0.72 STIM1 (0.42) KIF11GAA
SCHEMBL7450010 0.71 POLB (0.46) KIF11KDM1AGLAPOLBGAA
SCHEMBL1561647 0.71 TAAR1 (0.36) KIF11GAATSHR
SCHEMBL634584 0.69 ALDH1A1 (0.36)
SCHEMBL9219920 0.69 KIF11 (0.44) KIF11MPLKDM1AGLAPOLB
SCHEMBL31522139 0.67 EPAS1 (0.39) KIF11GLAPOLBGAATSHR
SCHEMBL21490256 0.67 KIF11 (0.39) KIF11NOTUM
SCHEMBL25296233 0.67 MAP3K12 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929533-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME Du Pont Pharmaceuticals Company (US) 1999-07-21 EP disclosed
WO-1998014436-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-09 WO disclosed