SCHEMBL5216604

SCHEMBL5216604

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccc(O)cc5O)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1I2 O75469 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SMO Q99835 1/20 0.34
HRH1 P35367 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2B Q13224 1/20 0.33
ERN1 O75460 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
SCHEMBL5197401 0.91 ALDH1A1 (0.39) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5224331 0.90 EGLN1 (0.35) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5196861 0.90 GRIN2B (0.39) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5197903 0.90 PRKCA (0.41) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL5196756 0.90 PRKCA (0.39) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5219759 0.89 TMEM97 (0.37) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5197220 0.89 HRH1 (0.41) PRKCAMMP12EGLN1SCN9AHRH1
SCHEMBL5197342 0.89 HPGD (0.41) PRKCAMMP12EGLN1SCN9ANR1I2
SCHEMBL5257079 0.89 BRD4 (0.37) PRKCAMMP12EGLN1SCN9ACYP3A4
SCHEMBL5198225 0.89 JAK2 (0.35) PRKCAMMP12EGLN1SCN9ANR1I2

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-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed