SCHEMBL1248604

SCHEMBL1248604

O=C(C=CN1CNc2c1nc[nH]c2=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 2/20 0.36
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TOP2A P11388 1/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALK Q9UM73 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL930873 0.77 HPRT1 (0.47) HPRT1KMT2AMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6935179 0.76 HPRT1 (0.46) HPRT1KMT2AMAPTMEN1ALDH1A1
Water SCHEMBL6931313 0.76 HPRT1 (0.46) HPRT1KMT2AMAPTMEN1ALDH1A1
Potassium Ion SCHEMBL6932912 0.67 HPRT1 (0.45) HPRT1KMT2AMAPTMEN1ALDH1A1
SCHEMBL7858420 0.64 LPAR2 (0.72) KMT2AMAPTMEN1LPAR2LPAR3
SCHEMBL7858424 0.64 LPAR2 (0.72) KMT2AMAPTMEN1LPAR2LPAR3
SCHEMBL8768185 0.63 HPRT1 (0.54) HPRT1KMT2AALDH1A1KDM4EPOLB
SCHEMBL29258382 0.62 LMNA (0.58) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL29258383 0.62 LMNA (0.58) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL23909407 0.61 HPRT1 (0.45) HPRT1RAB9AALDH1A1SMN1; SMN2LMNA

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
EP-1790344-B1 Methods for treatment of disease-induced peripheral neuropathy and related conditions SPECTRUM PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed