SCHEMBL7329003

SCHEMBL7329003

O=C1C(O)N(O)c2ccccc2N1Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.43
SIRT1 Q96EB6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PYGL P06737 3/20 0.39
HSD17B10 Q99714 1/20 0.38
CNOT7 Q9UIV1 1/20 0.38
BRD4 O60885 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7324240 0.78 MEN1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL7330405 0.71 TRPA1 (0.39) LMNACYP1B1
SCHEMBL7322107 0.70 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1KDM4E
SCHEMBL7477378 0.70 SIRT1 (0.48) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL29352010 0.70 ALDH1A1 (0.54) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL4625520 0.68 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1PKMCYP1B1
SCHEMBL41923 0.67 ALDH1A1 (0.64) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL30711693 0.67 ALDH1A1 (1.00) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL2959641 0.67 ALDH1A1 (1.00) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL8314773 0.66 ALDH1A1 (0.72) LMNAALDH1A1KMT2AMEN1PKM

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-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed