SCHEMBL14040936

SCHEMBL14040936

O=C(Nc1oc(-c2cc3ccccc3cc2O)nc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.73
FLT1 P17948 1/20 0.73
FLT4 P35916 1/20 0.73
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
GFER P55789 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMO Q99835 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL14148538 0.85 TP53 (0.57) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7982509 0.84 KDR (0.52) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148536 0.82 KDR (0.49) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148552 0.82 KDR (0.49) KDRFLT1FLT4MEN1KMT2A
SCHEMBL7744191 0.81 KDR (0.48) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148568 0.80 TP53 (0.54) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148561 0.79 TP53 (0.50) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148571 0.79 KDR (0.62) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148542 0.79 IKBKB (0.48) KDRFLT1FLT4MEN1KMT2A
SCHEMBL14148540 0.79 TP53 (0.53) KDRFLT1FLT4MEN1KMT2A

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
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed