SCHEMBL21371016

SCHEMBL21371016

N#C/N=C1/Cc2cc3c(cc2-c2ccc(-c4cccc(C(F)(F)F)c4)cc21)/C(=N/C#N)c1cc(-c2cccc(C(F)(F)F)c2)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
NAAA Q02083 1/20 0.34
CTSS P25774 2/20 0.34
KDM1A O60341 1/20 0.34
TDP2 O95551 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 1/20 0.32
CTSK P43235 4/20 0.32
S1PR5 Q9H228 1/20 0.31
KCNH2 Q12809 2/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10050374 0.85 CTSS (0.43) PARP10PARP11ASIC3NAAACTSS
SCHEMBL16433706 0.82 TDP2 (0.41) PARP10PARP11ASIC3NAAATDP2
SCHEMBL16433969 0.78 TDP2 (0.42) PARP10TDP2KIF11
SCHEMBL15095669 0.75 NAAA (0.33) PARP10PARP11NAAACTSSKDM1A
SCHEMBL10050376 0.75 RXRA (0.38) PARP10PARP11NAAACTSSTDP2
SCHEMBL16433972 0.74 KIF11 (0.43) TDP2KIF11
SCHEMBL10050369 0.73 KIF11 (0.47) CTSSTDP2CTSKKIF11ALDH1A1
SCHEMBL21370850 0.73 PARP10 (0.34) PARP10PARP11NAAACTSSKDM1A
SCHEMBL12118000 0.70 CTSS (0.42) PARP10PARP11ASIC3NAAACTSS
SCHEMBL12198263 0.70 CTSS (0.42) PARP10PARP11ASIC3NAAACTSS

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-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT JOLED INC (JP) 2019-09-18 EP disclosed