SCHEMBL6725044

SCHEMBL6725044

O=C(C(=O)c1cc(I)c(OCc2cccc(I)c2)c(I)c1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
SLC26A3 P40879 2/20 0.38
ANO1 Q5XXA6 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL6721162 0.92 F2 (0.46) F2IDO1LMNAHPGDMRGPRX4
SCHEMBL4265967 0.85 F2 (0.49) F2IDO1MRGPRX4TP53PKM
SCHEMBL6721262 0.83 IDO1 (0.42) F2IDO1LMNAHPGDSLC26A3
SCHEMBL4276277 0.78 THRA (0.47) F2IDO1LMNAHPGDSLC26A3
SCHEMBL6724848 0.77 IDO1 (0.44) F2IDO1SLC26A3ANO1MAOA
SCHEMBL4271148 0.76 THRA (0.57)
SCHEMBL6721180 0.75 ALDH1A1 (0.43) LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL4275299 0.74 MAOB (0.53) F2MRGPRX4MAOBTP53PKM
SCHEMBL6723744 0.74 THRA (0.43) F2IDO1
SCHEMBL6724982 0.73 CXCR1 (0.61) LMNAHPGDMAOAMAOBTP53

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