SCHEMBL8797410

SCHEMBL8797410

CN(C)c1ccc(-c2nc(-c3ccc(C(=O)O)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.72
KDM4E B2RXH2 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 3/20 0.71
GLA P06280 3/20 0.71
GAA P10253 3/20 0.71
HPGD P15428 3/20 0.71
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
GFER P55789 1/20 0.64
ALOX5 P09917 3/20 0.62
MAPK14 Q16539 3/20 0.62
TGFBR1 P36897 2/20 0.62
MAPK13 O15264 2/20 0.62
MAPK12 P53778 2/20 0.62
MAPK11 Q15759 2/20 0.62
PTPN1 P18031 1/20 0.62
TOP1 P11387 2/20 0.57

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
SCHEMBL29103864 0.89 KDM4E (0.83) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL8797140 0.86 RAF1 (0.67) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL2593317 0.84 KDM4E (0.91) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL1071183 0.84 NOX1 (1.00) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL31742329 0.84 RAF1 (0.76) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL30762099 0.84 RAF1 (0.76) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL12311111 0.84 KDM4E (0.75) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL8032578 0.83 NOX1 (0.76) NOX1KDM4EALDH1A1HPGDMAPT
SCHEMBL28500397 0.83 KDM4E (0.74) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL12561714 0.82 KDM4E (0.72) KDM4EKMT2AALDH1A1GLAGAA

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
US-5700826-A SENSITIZATION OF CANCER CELLS TO DRUG ONTOGEN CORPORATION (US) 1997-12-23 US disclosed
EP-0812829-A1 Substituted imidazoles as modulators of multi-drug resistance ONTOGEN CORPORATION (US) 1997-12-17 EP disclosed