SCHEMBL9610064

SCHEMBL9610064

Cc1cc(C(c2ccc(O)c(N3C(=O)c4ccccc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.47
ESR1 P03372 4/20 0.39
ESR2 Q92731 3/20 0.39
NR1H3 Q13133 6/20 0.39
NR1H2 P55055 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP1 P29466 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM4 Q14833 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL23133322 0.93 TYMS (0.43) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL2622758 0.88 ESR1 (0.41) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL9891724 0.84 ESR1 (0.43) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL13966982 0.83 ESR1 (0.38) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL27250012 0.83 TYMS (0.44) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL13292495 0.82 BRD4 (0.38) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL18932803 0.82 MEN1 (0.46) TYMSMEN1KMT2A
SCHEMBL22853589 0.81 NPC1 (0.40) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL25969184 0.81 MEN1 (0.38) TYMSESR1ESR2NR1H3NR1H2
SCHEMBL25969146 0.81 ESR1 (0.49) TYMSESR1ESR2NR1H3NR1H2

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-20120135251-A1 PHOTOSENSITIVE POLYIMIDE HAVING SILICON MODIFIED GROUP, ADHESIVE COMPOSITION AND SEMICONDUCTOR PACKAGE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-05-31 US disclosed