SCHEMBL17119050

SCHEMBL17119050

N#Cc1ccc(-c2c3cc(C#N)cc4c5cc(C#N)ccc5c(c34)c3c4cccc5cccc(c23)c54)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SLC22A12 Q96S37 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
PDPK1 O15530 1/20 0.32
FASN P49327 1/20 0.32
TNKS O95271 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL17598849 0.95 CA1 (0.38) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL14680439 0.89 CA1 (0.36) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL17119048 0.86 ALDH1A1 (0.37) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL23081547 0.86 CA1 (0.38) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL18365177 0.85 MYC (0.38) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL21423351 0.85 CYP1A2 (0.38) CA1CA2SLC22A12PDPK1TNKS
SCHEMBL17119049 0.84 CA1 (0.38) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL13492644 0.81 MMP3 (0.44) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL13492661 0.81 CA1 (0.40) CA1CA2SLC22A12MEN1KMT2A
SCHEMBL21921271 0.81 MEN1 (0.37) MEN1KMT2AFASNALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150270493-A1 ORGANIC LIGHT EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-09-24 US disclosed
US-20150270493-A1 ORGANIC LIGHT EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-09-24 US disclosed