SCHEMBL6725854

SCHEMBL6725854

O=C(COc1c(I)cc(S(=O)(=O)c2cc(I)c(O)c(I)c2)cc1I)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CDC25B P30305 7/20 0.40
KDM5A P29375 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
ACLY P53396 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL6723591 0.85 THRA (0.46) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6721180 0.85 ALDH1A1 (0.43) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6725936 0.83 GAA (0.40) LMNAALDH1A1KDM4EPOLBNPSR1
SCHEMBL6723918 0.80 ALDH1A1 (0.47) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6731605 0.78 ALDH1A1 (0.45) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL22991665 0.77 CDC25B (0.46) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL6721262 0.75 IDO1 (0.42) LMNAL3MBTL1HPGD
SCHEMBL5908191 0.74 GAA (0.59) LMNAALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL24588544 0.70 CA12 (0.43) ALDH1A1KDM4ECDC25BMEN1MAPT
SCHEMBL6723683 0.70 TPMT (0.47) LMNAALDH1A1MAPK1POLBGAA

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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed