SCHEMBL10038784

SCHEMBL10038784

N#Cc1ccc2c(c1)-c1ccc3c4c(-c5ccccc5)c5c6ccc7c8c(ccc(c5c(-c5ccccc5)c4c4ccc-2c1c43)c86)-c1cc(C#N)ccc1-7

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FASN P49327 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
DPP4 P27487 2/20 0.39
METAP2 P50579 1/20 0.38
CYP19A1 P11511 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL10005262 0.88 MEN1 (0.35) MEN1KMT2AFASNPTGDR2DPP4
SCHEMBL23806072 0.80 ATM (0.37) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL12682329 0.79 DPP4 (0.38) MEN1KMT2AFASNDPP4CYP19A1
SCHEMBL20149201 0.78 AR (0.33) DPP4
SCHEMBL21704885 0.78 CYP1A2 (0.37) MEN1KMT2ADPP4GABRA1GABRG2
SCHEMBL12855308 0.78 PTGDR2 (0.50) MEN1KMT2APTGDR2METAP2CYP19A1
SCHEMBL10005264 0.78 MAP2K4 (0.38) MEN1KMT2AMETAP2ALDH1A1ATM
SCHEMBL12449278 0.77 ALDH1A1 (0.37) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL10005267 0.75 MEN1 (0.41) MEN1KMT2AMETAP2ATM
SCHEMBL20740894 0.74 PTGDR2 (0.50) MEN1KMT2APTGDR2METAP2CYP19A1

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