SCHEMBL6725945

SCHEMBL6725945

O=C(O)c1cc(I)c(OCc2ccccc2I)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 2/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4273222 0.87 ALDH1A1 (0.54) TPMTMEN1KMT2ANR4A2NPC1
SCHEMBL4273058 0.87 THRA (0.51) TPMTMEN1KMT2ANR4A2NPC1
SCHEMBL6727907 0.87 NR4A2 (0.61) MEN1KMT2ANR4A2NPC1RAB9A
SCHEMBL6725244 0.87 MAOB (0.49) PTPN1TDP1
SCHEMBL6723594 0.85 FFAR1 (0.47) KMT2A
SCHEMBL4269670 0.84 MEN1 (0.63) TPMTMEN1KMT2ANR4A2THRA
SCHEMBL4268890 0.83 ALKBH1 (0.50) MEN1KMT2ANR4A2NPC1RAB9A
SCHEMBL6726446 0.83 MAOB (0.52) IDO1
SCHEMBL4265217 0.82 MAOB (0.53) TPMTMEN1KMT2ANPC1RAB9A
SCHEMBL6727778 0.81 RXRA (0.51)

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