SCHEMBL6725924

SCHEMBL6725924

O=C(O)c1cc(I)c(OC(Cl)c2ccccc2Cl)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.40
TTR P02766 2/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMO O15229 1/20 0.35
NR4A2 P43354 2/20 0.35
HPGD P15428 2/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL7032802 0.73 SRD5A2 (0.51) TPMTTTRTSHRMEN1KMT2A
SCHEMBL6720828 0.72 TPMT (0.40) TPMTTTRTSHRRAB9AMEN1
SCHEMBL6727907 0.70 NR4A2 (0.61) NPC1RAB9AMEN1KMT2ANR4A2
SCHEMBL2345812 0.69 ACP3 (0.43) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL4607561 0.66 ACP3 (0.41) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL10323166 0.66 TPMT (0.67) TPMTTTRMEN1KMT2ATHRA
SCHEMBL774819 0.66 TSHR (0.65) TPMTTTRTSHRMEN1KMT2A
SCHEMBL10876491 0.65 CASP1 (0.40) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL365482 0.65 TSHR (0.44) TSHRTDP1NR4A2HPGDTP53
SCHEMBL9718964 0.65 KMT2A (0.47) MEN1KMT2AACP3

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
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO claimed
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