SCHEMBL20114718

SCHEMBL20114718

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)ccc2C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 3/20 0.34
PTGER4 P35408 1/20 0.32
NR3C1 P04150 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL20156197 0.95 ALDH1A1 (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156183 0.93 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155975 0.93 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114715 0.92 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156130 0.91 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150422 0.91 ALDH1A1 (0.44) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155943 0.91 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156212 0.90 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156205 0.89 NR3C1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156266 0.89 ALDH1A1 (0.39) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2

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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP disclosed