SCHEMBL7204917

SCHEMBL7204917

O=C(NCC(P(=O)(O)O)P(=O)(O)O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
BACE1 P56817 1/20 0.42
FDPS P14324 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
ITGAV P06756 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL19746790 0.80 POLB (0.57) MEN1KMT2ATDP1BACE1KDM4E
SCHEMBL27271137 0.77 BACE1 (0.52) MEN1KMT2ATDP1BACE1KDM4E
SCHEMBL24429207 0.76 MEN1 (0.51) MEN1KMT2ATDP1BACE1KDM4E
SCHEMBL4352870 0.74 KMT2A (0.55) MEN1KMT2ATDP1TSHRHTT
Iodohippurate SCHEMBL589803 0.73 KMT2A (0.58) MEN1KMT2ATDP1KDM4ERAB9A
Iodohippurate SCHEMBL29959499 0.73 KMT2A (0.58) MEN1KMT2ATDP1KDM4ERAB9A
SCHEMBL772204 0.73 ALDH1A1 (0.54) MEN1KMT2ATDP1KDM4ESIGMAR1
SCHEMBL13667371 0.71 MEN1 (0.51) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL20963267 0.71 HPGD (0.56) MEN1KMT2ATDP1KDM4EHTT
Iodohippurate SCHEMBL2142713 0.71 KMT2A (0.56) MEN1KMT2ATDP1KDM4ERAB9A

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-6607710-B1 Provide a bisphosphonic acid derivative and said bisphosphonic acid derivative being labeled with a radioactive nuclide, which has properties of rapid accumulation to the bone and rapid urinary excretion. NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-08-19 US disclosed
EP-1092723-A2 Bisphosphonic acid derivative and compound thereof labelled with radioactive nuclide NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-04-18 EP disclosed