SCHEMBL7563264

SCHEMBL7563264

COc1ccc(C)c2[nH]c(=O)c(C(=O)N(C)c3cc(F)ccc3F)c(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
APLNR P35414 1/20 0.35
HDAC4 P56524 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
ERN1 O75460 1/20 0.34
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7558781 0.82 MAPT (0.40) MAPTHSD17B1HSD17B2KDM4EGPBAR1
SCHEMBL7558487 0.78 MAPT (0.41) MAPTHSD17B1HSD17B2KDM4EHSD17B10
SCHEMBL7563319 0.78 HTR1A (0.36) MAPTHSD17B1HSD17B2KDM4EGPBAR1
SCHEMBL7559757 0.76 MAPT (0.39) MAPTHSD17B1HSD17B2MEN1KMT2A
SCHEMBL7556667 0.76 HSD17B1 (0.34) MAPTHSD17B1HSD17B2KDM4EMEN1
SCHEMBL14335694 0.75 CYP19A1 (0.42) MAPTKDM4EALDH1A1HSD17B10MEN1
SCHEMBL7559768 0.74 MAPT (0.48) MAPTHSD17B1HSD17B2KDM4EGPBAR1
SCHEMBL14335867 0.74 USP2 (0.44) MAPTKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5163897 0.73 HDAC4 (0.64) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL7140931 0.73 KDM4E (0.36) MAPTHSD17B1HSD17B2KDM4EKMT2A

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-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed