SCHEMBL6725779

SCHEMBL6725779

O=C(OCc1ccccc1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A3 Q01959 1/20 0.64
LMNA P02545 4/20 0.63
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
ESR1 P03372 2/20 0.54
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6723785 0.88 MAOB (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6282770 0.84 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3042119 0.84 TDP1 (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL18646100 0.84 ALDH1A1 (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL19779313 0.83 KMT2A (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1347680 0.83 L3MBTL1 (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL18427933 0.83 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9166162 0.83 TDP1 (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9696689 0.83 TDP1 (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6723725 0.83 ESR1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA

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 3 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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed