SCHEMBL13679659

SCHEMBL13679659

CC(=O)/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.61
▸ PTPN1 P18031 1/20 0.59
▸ ALOX5 P09917 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GLA P06280 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HSD17B3 P37058 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SELP P16109 2/20 0.41
▸ SELE P16581 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL13679702 0.91 PTPN1 (0.72) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL8797319 0.91 PTPN1 (0.72) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL13679657 0.89 NOX1 (0.60) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL6606552 0.85 NOX1 (0.57) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL6608693 0.82 NOX1 (0.62) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL6611375 0.81 NOX1 (0.61) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL6622165 0.80 NOX1 (0.62) NOX1PTPN1ALOX5MAPTTP53
SCHEMBL8797410 0.79 NOX1 (0.72) NOX1PTPN1ALOX5KDM4EALDH1A1
SCHEMBL13679687 0.79 NOX1 (0.61) NOX1PTPN1ALOX5MAPTTP53
SCHEMBL8032578 0.78 NOX1 (0.76) NOX1PTPN1ALOX5KDM4EALDH1A1

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-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
Send feedback