SCHEMBL16433706

SCHEMBL16433706

N#C/N=C1\c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.41
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NAAA Q02083 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
ASIC3 Q9UHC3 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
KIF11 P52732 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
SCHEMBL10050376 0.86 RXRA (0.38) TDP2NAAAPARP10PARP11RXRA
SCHEMBL16433972 0.84 KIF11 (0.43) TDP2KIF11
SCHEMBL16433969 0.84 TDP2 (0.42) TDP2ESR1ESR2PARP10KIF11
SCHEMBL21371016 0.82 PARP10 (0.38) TDP2NAAAPARP10PARP11ASIC3
SCHEMBL10050369 0.79 KIF11 (0.47) TDP2KIF11
SCHEMBL10050374 0.76 CTSS (0.43) NAAAPARP10PARP11ASIC3KIF11
SCHEMBL20823388 0.76
SCHEMBL12198266 0.75 TDP2 (0.39) TDP2KIF11
SCHEMBL12149131 0.72 AR (0.36) TDP2KIF11
SCHEMBL20824289 0.71

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-2833429-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Sony Corporation (JP) 2015-02-04 EP disclosed