SCHEMBL29953697

SCHEMBL29953697

O=CCn1ccc([N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
KLKB1 P03952 2/20 0.41
ELANE P08246 2/20 0.41
MEN1 O00255 1/20 0.39

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
SCHEMBL10732892 0.83 POLB (0.47) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL27979898 0.80 POLB (0.45) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1865928 0.80 KMT2A (0.51) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL16013353 0.78 PKM (0.51) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1107562 0.78 PKM (0.51) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1107514 0.78 PKM (0.55) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1862274 0.78 KMT2A (0.51) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL28282664 0.76 PKM (0.50) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1860255 0.76 PKM (0.61) PKMKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL16943108 0.75 POLB (0.49) PKMKMT2ACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed