SCHEMBL10898568

SCHEMBL10898568

O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc(Oc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
HSPB1 P04792 3/20 0.43
PIN1 Q13526 1/20 0.42
TP53 P04637 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL10414229 0.98 LMNA (0.54) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL9762576 0.89 MEN1 (0.58) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL10901927 0.87 MEN1 (0.68) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL1685023 0.82 KMT2A (0.53) LMNAMEN1KMT2APOLBALDH1A1
Ammonia Solution, Strong SCHEMBL9736773 0.81 KMT2A (0.51) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL27715340 0.80 MAPT (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL10899941 0.80 TSHR (0.48) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL10902633 0.80 HSPB1 (0.54) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL27707836 0.79 MEN1 (0.76) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL11512855 0.79 MAPT (0.53) LMNAMEN1KMT2APOLBALDH1A1

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-4620046-A EXPROSIVE, PROPELLANT DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed