SCHEMBL7566030

SCHEMBL7566030

COc1cc(OC)c2cc(C(C)(C)O)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.31
MAPK1 P28482 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7525851 0.86 TDP1 (0.32) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL7568969 0.85 PTPN1 (0.34) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL12259683 0.84 MEN1 (0.34) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL7528138 0.82 MEN1 (0.33) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL7569354 0.80 TDP1 (0.35) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL12952370 0.80 TDP1 (0.33) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL6131956 0.80 SLC2A1 (0.35) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL11983659 0.79 TDP1 (0.36) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL7568918 0.79 ALDH1A1 (0.40) TDP1MAPK1MEN1KMT2AMAPT
SCHEMBL10106936 0.75 SLC2A1 (0.36) MEN1KMT2AMAPTLMNACYP1A2

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-0984929-B1 NAPHTHOPYRAN DERIVATIVES, COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THE SAME CORNING SA (FR) 2002-09-11 EP claimed