SCHEMBL9739780

SCHEMBL9739780

FC(F)(F)c1cccc2[nH]c[c]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
KIF11 P52732 1/20 0.41
CES1 P23141 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
PARP1 P09874 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
CA2 P00918 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL9739453 0.81 GPR84 (0.31)
SCHEMBL67912 0.81 KIF11 (0.41) KIF11CA2ALDH1A1
SCHEMBL68476 0.69 GPR84 (0.41) KIF11CA2ALDH1A1
SCHEMBL7281525 0.69 SMN1; SMN2 (0.42) AXLKIF11CES1KDM4ESMN1; SMN2
SCHEMBL558190 0.68 AXL (0.47) AXLKIF11CES1KDM4ESMN1; SMN2
SCHEMBL1539241 0.65 CA1 (0.39) KDM4ESMN1; SMN2HSD17B10CA2MEN1
SCHEMBL27479367 0.64 HTR2C (0.34)
SCHEMBL30225674 0.64 AXL (0.52) AXLKIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL826095 0.64 AXL (0.52) AXLKIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL455644 0.64 CES1 (0.34) AXLKIF11CES1KDM4ESMN1; SMN2

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