SCHEMBL6724979

SCHEMBL6724979

O=C(O)c1cc(I)c(OCc2cccc(C(=O)c3ccccc3)c2)c(I)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.58
MRGPRX4 Q96LA9 11/20 0.51
TP53 P04637 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
KMT2A Q03164 1/20 0.51
ALKBH1 Q13686 1/20 0.51
NR4A2 P43354 1/20 0.50
PKM P14618 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL4269670 0.87 MEN1 (0.63) SRD5A2SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL4265967 0.85 F2 (0.49) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL4267556 0.82 NR4A2 (0.64) MRGPRX4MEN1KMT2AALKBH1NR4A2
SCHEMBL4271200 0.82 MRGPRX4 (0.59) MRGPRX4SMN1; SMN2RAB9AMEN1NPC1
SCHEMBL4275299 0.82 MAOB (0.53) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL6721220 0.82 RXRA (0.64) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL4265055 0.80 MRGPRX4 (0.64) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL4265977 0.80 MRGPRX4 (0.56) MRGPRX4RAB9AMEN1NPC1KMT2A
SCHEMBL4280714 0.79 NR4A2 (0.67) MRGPRX4NR4A2
SCHEMBL4266677 0.79 FFAR1 (0.54) MRGPRX4MEN1KMT2AALKBH1

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 4 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-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