SCHEMBL10005262

SCHEMBL10005262

[C-]#[N+]c1ccc2c(c1)-c1ccc3c4c(-c5ccccc5)c5c6ccc7c8c(ccc(c5c(-c5ccccc5)c4c4ccc-2c1c43)c86)-c1cc(C#N)ccc1-7

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FASN P49327 1/20 0.34
DPP4 P27487 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
METAP2 P50579 1/20 0.32
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
CSF1R P07333 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
SCHEMBL10038784 0.88 MEN1 (0.42) MEN1KMT2AFASNDPP4PTGDR2
SCHEMBL12853956 0.83 PTGDR2 (0.41) MEN1KMT2APTGDR2GABRA1GABRG2
SCHEMBL12887885 0.80 CASP3 (0.34) ALDH1A1
SCHEMBL12854004 0.74 L3MBTL1 (0.36) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL13170843 0.73 GABRA1 (0.40) MEN1KMT2APTGDR2GABRA1GABRG2
SCHEMBL13170881 0.72 ADRA2C (0.39) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL13251148 0.72 METAP2 (0.35) MEN1KMT2APTGDR2GABRA1GABRG2
SCHEMBL13250989 0.72 METAP2 (0.35) MEN1KMT2APTGDR2GABRA1GABRG2
SCHEMBL21704885 0.71 CYP1A2 (0.37) MEN1KMT2ADPP4GABRA1GABRG2
SCHEMBL23806072 0.71 ATM (0.37) MEN1KMT2AGABRA1GABRG2GABRB3

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-8785005-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2014-07-22 US disclosed
US-20120012827-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed