SCHEMBL7137199

SCHEMBL7137199

COc1cc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PLK4 O00444 1/20 0.50
GSK3B P49841 3/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
TOP1 P11387 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PDE4B Q07343 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.39
HSD17B3 P37058 1/20 0.39
TTR P02766 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 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
SCHEMBL7133880 0.89 LRRK2 (0.48) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7133184 0.87 KDM1A (0.52) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7136631 0.85 LRRK2 (0.43) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7139429 0.85 ERBB2 (0.53) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7139026 0.85 MEN1 (0.40) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7132141 0.83 KMT2A (0.53) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7132027 0.83 ERBB2 (0.60) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7137078 0.82 KDM1A (0.52) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL7130885 0.82 SIRT1 (0.41) MEN1KMT2AMAPTTDP1PLK4
SCHEMBL5358747 0.82 PLK4 (0.60) MEN1KMT2AMAPTKDM4ETDP1

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed