SCHEMBL19903682

SCHEMBL19903682

Cc1cc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
SYK P43405 1/20 0.38
MAT2A P31153 1/20 0.37
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
PTPN5 P54829 1/20 0.35
GRM5 P41594 2/20 0.35
ENPP1 P22413 1/20 0.35
TRPA1 O75762 1/20 0.35
PDK2 Q15119 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
XDH P47989 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL19917929 0.97 AR (0.38) ARSYKMAT2AGRIN1GRIN2B
SCHEMBL22822323 0.93 AR (0.45) ARSYKMAT2AGRIN1GRIN2B
SCHEMBL21440721 0.93 PTPN5 (0.38) ARSYKMAT2AGRIN1GRIN2B
SCHEMBL22822142 0.93 PTPN5 (0.38) ARSYKMAT2AGRIN1GRIN2B
SCHEMBL19903680 0.92 MAT2A (0.38) ARSYKMAT2AGRIN1GRIN2B
SCHEMBL19912453 0.91 GRIN1 (0.41) MAT2AGRIN1GRIN2BPTPN5GRM5
SCHEMBL22822333 0.91 RXRA (0.38) ARSYKGRM5XDHRXRA
SCHEMBL19912417 0.91 AR (0.39) ARGRIN1GRIN2BXDHRXRA
SCHEMBL19912450 0.91 AR (0.37) ARXDHRXRARXRG
SCHEMBL22822441 0.91 AR (0.43) ARSYKMAT2AGRIN1GRIN2B

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-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed