SCHEMBL11596759

SCHEMBL11596759

CN(C)c1ccc(-c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.69
SMPD3 Q9NY59 3/20 0.54
PTPN1 P18031 1/20 0.51
TP53 P04637 4/20 0.51
MAPT P10636 4/20 0.51
ALOX5 P09917 1/20 0.49
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47
GCGR P47871 2/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14003089 0.95 NOX1 (0.60) NOX1SMPD3PTPN1TP53MAPT
SCHEMBL5151007 0.91 SMPD3 (0.64) NOX1SMPD3PTPN1TP53MAPT
Hydrochloric Acid SCHEMBL10787659 0.89 SMPD3 (0.62) NOX1SMPD3PTPN1TP53MAPT
SCHEMBL6468933 0.85 MAPK13 (0.64) NOX1SMPD3ALOX5MAPK13MAPK12
SCHEMBL12555646 0.85 NOX1 (0.74) NOX1SMPD3PTPN1TP53MAPT
SCHEMBL11596752 0.83 SMPD3 (0.47) NOX1SMPD3PTPN1TP53MAPT
SCHEMBL12103510 0.83 SMPD3 (0.46) NOX1SMPD3PTPN1TP53MAPT
SCHEMBL1071183 0.83 NOX1 (1.00) NOX1TP53MAPTALOX5MAPK13
Hydrochloric Acid SCHEMBL16166072 0.82 SMPD3 (0.45) NOX1SMPD3TP53MAPTALOX5
SCHEMBL12103556 0.82 NOX1 (0.45) NOX1SMPD3TP53MAPTALOX5

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
US-4090877-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-23 US disclosed