SCHEMBL4763126

SCHEMBL4763126

CC(NC(=O)O)c1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
MAPT P10636 6/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
GAA P10253 3/20 0.56
HTT P42858 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL4512467 0.86 POLB (0.57) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1552759 0.85 POLB (0.64) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1552760 0.85 POLB (0.64) POLBMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4520942 0.84 POLB (0.63) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6558080 0.84 POLB (0.52) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6558090 0.84 POLB (0.52) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30828600 0.73 MAPT (0.67) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1553245 0.73 POLB (0.63) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3416255 0.72 POLB (0.62) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14735881 0.72 HCAR3 (0.57) MEN1KMT2ALMNATSHR

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
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO disclosed