SCHEMBL7140931

SCHEMBL7140931

COCc1cccc2[nH]c(=O)c(C(=O)N(C)c3cc(F)ccc3F)c(O)c12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
APLNR P35414 1/20 0.34
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33
MAP3K5 Q99683 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL7561988 0.81 MAPT (0.40) KDM4ETDP1MAPTGSK3BPOLB
SCHEMBL7615932 0.79 MAPT (0.39) KDM4ETDP1MAPTGSK3B
SCHEMBL7558781 0.79 MAPT (0.40) KDM4ETDP1MAPTGSK3BHSD17B1
SCHEMBL7562731 0.78 HDAC4 (0.50) KDM4EMAPTMMP1MMP12MAP3K5
SCHEMBL7617548 0.78 MAPT (0.38) KDM4ETDP1MAPTGSK3B
SCHEMBL7563319 0.77 HTR1A (0.36) KDM4EMAPTGSK3BHSD17B1HSD17B2
SCHEMBL11983221 0.76 SERPINE1 (0.47) KDM4ETDP1KMT2A
SCHEMBL7556667 0.74 HSD17B1 (0.34) KDM4EMAPTGSK3BKMT2AHSD17B1
SCHEMBL7563264 0.73 MAPT (0.38) KDM4ETDP1MAPTAPLNRKMT2A
SCHEMBL11983220 0.72 HDAC4 (0.51) KDM4ETDP1MAPTAPLNRPOLB

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
EP-1095021-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2003-09-17 EP claimed