SCHEMBL6833466

SCHEMBL6833466

CC(=O)OCC(O)COCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
TYMP P19971 3/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
MITF O75030 1/20 0.34
NOS1 P29475 1/20 0.34
MEN1 O00255 1/20 0.33
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
CCR10 P46092 2/20 0.31

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
SCHEMBL9441423 0.86 KMT2A (0.62) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL3807522 0.84 KMT2A (0.51) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL10339231 0.83 LMNA (0.50) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL9621330 0.83 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL9318067 0.81 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL10932608 0.81 LMNA (0.43) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL294230 0.80 LMNA (0.44) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL9406432 0.80 LMNA (0.43) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL6236946 0.79 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4
SCHEMBL7206704 0.79 KMT2A (0.42) KMT2ALMNATHRBCYP2C19CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743925-B1 FLUORINE RADIOTAGGED; DETECTION OF CANCER CELLS OR ISCHEMIC SITES OF CIRCULATORY ORGANS POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-06-01 US disclosed
EP-1218351-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-03 EP disclosed
WO-2001019799-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-03-22 WO disclosed