SCHEMBL5559424

SCHEMBL5559424

CN(c1ccc2c(c1)OCO2)c1ccccc1-c1nc(Cl)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
EGFR P00533 3/20 0.40
PDGFRB P09619 2/20 0.40
KDR P35968 2/20 0.40
PDGFRA P16234 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3114792 0.82 EGFR (0.57) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5553089 0.77 EGFR (0.66) LMNAEGFRPDGFRBKDR
SCHEMBL30366783 0.76 CYP1A2 (0.52) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5553119 0.73 EGFR (0.46) EGFRPDGFRBKDRALDH1A1KDM4E
SCHEMBL5107707 0.71 EGFR (0.67) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4894387 0.71 CYP1A2 (0.70) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5107758 0.71 CYP1A2 (0.74) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4890500 0.69 USP2 (0.55) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4884533 0.69 USP2 (0.55) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5104641 0.69 CYP1A2 (0.55) USP2CYP1A2CYP3A4CYP2D6CYP2C19

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-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed