SCHEMBL6723587

SCHEMBL6723587

N#Cc1ccc(-c2cc(I)c(O)c(I)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.63
ALB P02768 2/20 0.63
MMP3 P08254 1/20 0.57
KIF11 P52732 3/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
CA1 P00915 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP11B2 P19099 1/20 0.39
PTPN5 P54829 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL2785846 0.93 TTR (0.55) TTRALBMMP3KIF11CA12
SCHEMBL2786381 0.88 KIF11 (0.49) TTRALBMMP3KIF11CA12
SCHEMBL2785702 0.82 MMP3 (0.55) TTRALBMMP3KIF11CA12
SCHEMBL13368942 0.78 KIF11 (0.46) TTRALBMMP3KIF11CA12
SCHEMBL31757686 0.78 KIF11 (0.46) TTRALBMMP3KIF11CA12
SCHEMBL19993388 0.78 MMP3 (0.45) TTRALBMMP3KIF11CA12
Ioxynil SCHEMBL1701373 0.78 TTR (1.00) TTRALBMMP3CA12CA2
Ioxynil SCHEMBL39616 0.78 TTR (1.00) TTRALBMMP3CA12CA2
SCHEMBL7125883 0.78 MMP3 (0.66) TTRALBMMP3KIF11CA12
SCHEMBL16789941 0.78 MMP3 (0.64) MMP3KIF11CA12CA2CA9

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
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed