SCHEMBL9711459

SCHEMBL9711459

CN1C(=O)C=C(OC(=O)c2ccccc2[N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL9711535 0.76 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9711499 0.73 KMT2A (0.40) KMT2AALDH1A1HTTKDM4EMEN1
SCHEMBL17673999 0.68 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31588107 0.68 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9711607 0.66 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10620700 0.65 TSHR (0.43) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL195311 0.65 ALDH1A1 (0.62) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL17010761 0.65 KDM4E (0.59) KMT2AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2289848 0.65 ALDH1A1 (0.61) KMT2AALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL6551442 0.65 ALDH1A1 (0.61) KMT2AALDH1A1SMN1; SMN2HTTNPC1

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed