SCHEMBL6589648

SCHEMBL6589648

Cc1cc(-c2ccc(C=O)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 3/20 0.51
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51
HPGD P15428 1/20 0.49
KDM4E B2RXH2 5/20 0.46
POLB P06746 3/20 0.46
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
HAO1 Q9UJM8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 3/20 0.43

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
SCHEMBL31074036 0.80 MAPT (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5737282 0.80 KDM4E (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5145111 0.79 MAPT (0.68) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2222010 0.78 ALDH1A1 (0.62) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5166572 0.76 GSK3A (0.69) MAPTKMT2AMEN1LMNARECQL
SCHEMBL5166576 0.76 GSK3A (0.69) MAPTKMT2AMEN1LMNARECQL
SCHEMBL7833840 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4704691 0.76 LDHA (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2559176 0.76 MAPT (0.67) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2559177 0.76 MAPT (0.67) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed