SCHEMBL15095669

SCHEMBL15095669

N#C/N=C1\c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C(F)(F)F)c2)cc1C3NC#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
CTSS P25774 2/20 0.33
KDM1A O60341 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
KIF11 P52732 1/20 0.32
MAOB P27338 1/20 0.31
CTSK P43235 3/20 0.31
KCNH2 Q12809 2/20 0.31
S1PR5 Q9H228 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL20823388 0.92
SCHEMBL20824157 0.91 KIF11 (0.34) KIF11
SCHEMBL20824289 0.89
SCHEMBL16433793 0.88 RXRA (0.31)
SCHEMBL16433985 0.88 KIF11 (0.32) KIF11
SCHEMBL16433962 0.86 TAAR1 (0.31)
SCHEMBL20823386 0.85 KIF11 (0.32) KIF11
SCHEMBL16433983 0.84 CTSS (0.32) CTSSKIF11CTSK
SCHEMBL10050374 0.83 CTSS (0.43) NAAACTSSKDM1APARP10PARP11
SCHEMBL16433984 0.82 CYP3A4 (0.34)

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-8481177-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2013-07-09 US disclosed