SCHEMBL9739424

SCHEMBL9739424

FC(F)(F)c1cccc2[nH][c]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.50
KIF11 P52732 4/20 0.46
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PARP1 P09874 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CES1 P23141 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CA2 P00918 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL1243755 0.80 KIF11 (0.46) AXLKIF11ALDH1A1CA2
SCHEMBL9740122 0.80 KIF11 (0.31) AXLKIF11
SCHEMBL442418 0.72 DAO (0.39) CES1
SCHEMBL826095 0.69 AXL (0.52) AXLKIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL30225674 0.69 AXL (0.52) AXLKIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL4276905 0.68 CYP1A2 (0.46) LMNA
SCHEMBL539330 0.68 CYP1A2 (0.46) KIF11HSD17B10ALDH1A1HPGDCA2
SCHEMBL4693055 0.68
SCHEMBL3071940 0.68 KIF11 (0.42) AXLKIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL12683720 0.67 AXL (1.00) AXLKIF11IDO1TRPA1

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed