SCHEMBL7181772

SCHEMBL7181772

COc1cc(C(=O)C(=O)N(C)C(Cc2ccc(Cl)cc2)C(=O)N(C)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
CXCR6 O00574 1/20 0.33
TUBB1 Q9H4B7 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
SCHEMBL7176769 1.00 F10 (0.38) F10KMT2AMEN1ATMMAPT
SCHEMBL6570397 0.91 KMT2A (0.42) KMT2AMEN1LMNAPOLBTDP1
SCHEMBL6570389 0.91 KMT2A (0.42) KMT2AMEN1LMNAPOLBTDP1
SCHEMBL6570448 0.89 L3MBTL1 (0.37) F10KMT2ALMNATDP1L3MBTL1
SCHEMBL6570451 0.89 L3MBTL1 (0.37) F10KMT2ALMNATDP1L3MBTL1
Timcodar SCHEMBL3673444 0.89 L3MBTL1 (0.37) F10KMT2ALMNATDP1L3MBTL1
Timcodar SCHEMBL1492143 0.89 L3MBTL1 (0.37) F10KMT2ALMNATDP1L3MBTL1
SCHEMBL6572477 0.88 SLC2A1 (0.39) F10KMT2AMEN1ATMMAPT
SCHEMBL6570405 0.88 SLC2A1 (0.39) F10KMT2AMEN1ATMMAPT
SCHEMBL8463579 0.86 MAPT (0.35) F10KMT2AMEN1ATMMAPT

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-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP claimed