SCHEMBL7770609

SCHEMBL7770609

CN(C)CCOCCc1cccc(C(=O)O)c1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 6/20 0.40
USP2 O75604 1/20 0.40
HMGB1 P09429 1/20 0.39
FOLH1 Q04609 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
PTK2B Q14289 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7074712 0.86 G6PD (0.51) G6PDCASP7CASP6HMGB1FOLH1
Hydrochloric Acid SCHEMBL28495555 0.79 G6PD (0.50) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL10430943 0.77 G6PD (0.49) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL21723958 0.75 G6PD (0.46) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL5135887 0.75 G6PD (0.56) G6PDCASP7CASP6HMGB1FOLH1
SCHEMBL808482 0.72 G6PD (0.57) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL30762619 0.72 G6PD (0.57) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL7157314 0.72 G6PD (0.53) G6PDCASP7CASP6KDM4EHMGB1
SCHEMBL10425883 0.72 G6PD (0.41) G6PDCASP7CASP6FOLH1KMT2A
SCHEMBL6832900 0.71 G6PD (0.56) G6PDCASP7CASP6ALDH1A1HMGB1

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-0955342-B1 Cationic azo dyes derived from aminobenzoic acid BASF AG (DE) 2001-07-11 EP disclosed
EP-0955342-A1 Cationic azo dyes derived from aminobenzoic acid BASF AKTIENGESELLSCHAFT (DE) 1999-11-10 EP disclosed