SCHEMBL9406399

SCHEMBL9406399

CC(=O)OCC=CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
TYMP P19971 3/20 0.38
MITF O75030 1/20 0.36
NOS1 P29475 1/20 0.36
TK1 P04183 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 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
SCHEMBL9408106 0.85 CA12 (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL10339231 0.81 LMNA (0.50) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9531393 0.78 LMNA (0.49) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131654 0.76 KMT2A (0.50) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9403525 0.74 LMNA (0.47) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9441423 0.74 KMT2A (0.62) LMNATHRBCYP2C19KMT2ACYP3A4
Bicarbonate SCHEMBL7458850 0.74 LMNA (0.46) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9441459 0.73 KMT2A (0.51) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL10932608 0.73 LMNA (0.43) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9621330 0.73 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4

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
JP-6211806-A None JP disclosed
JP-H06211806-A RADIOSENSITIZER FOR HYPOXIC CELL POLA CHEM IND INC 1994-08-02 JP disclosed