SCHEMBL14822352

SCHEMBL14822352

CCC(CO)(CO)Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.47
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 1/20 0.41
TYMP P19971 3/20 0.41
NOS1 P29475 1/20 0.36
MITF O75030 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
FDPS P14324 1/20 0.33
CCR10 P46092 2/20 0.32

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
SCHEMBL28639392 0.91 LMNA (0.52) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL21327770 0.91 LMNA (0.52) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL16284421 0.86 LMNA (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL21327768 0.86 LMNA (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL14822584 0.86 LMNA (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL26657822 0.86 CYP2C19 (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL18823119 0.81 LMNA (0.49) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL9441389 0.79 LMNA (0.50) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL13942277 0.78 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL8530813 0.76 LMNA (0.59) LMNATHRBCYP2C19KMT2ACA12

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
EP-2759538-B1 RADIOACTIVE FLUORINE LABELED COMPOUND NIHON MEDIPHYSICS CO LTD (JP) 2016-03-23 EP disclosed
EP-2759538-A1 RADIOACTIVE FLUORINE LABELED COMPOUND Nihon Medi-Physics Co., Ltd. (JP) 2014-07-30 EP disclosed
WO-2013042668-A1 RADIOACTIVE FLUORINE LABELED COMPOUND 日本メジフィジックス株式会社 (JP) 2013-03-28 WO disclosed