SCHEMBL15959633

SCHEMBL15959633

Nc1ccc(-c2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
LMNA P02545 5/20 0.67
TP53 P04637 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
CCR1 P32246 3/20 0.67
CCR5 P51681 3/20 0.67
CCR8 P51685 3/20 0.67
ALOX15 P16050 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
HTT P42858 2/20 0.67
HSP90AA1 P07900 2/20 0.67
ALPL P05186 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
BLM P54132 2/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
METAP1 P53582 1/20 0.52

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
SCHEMBL13202960 0.90 KDM4E (0.82) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL12925574 0.87 KDM4E (0.69) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL71031 0.86 KDM4E (0.56) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL14297306 0.85 KDM4E (0.67) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL923281 0.85 KDM4E (0.56) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL24712477 0.84 KDM4E (0.78) KDM4ELMNATP53SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL29687884 0.84 KDM4E (0.54) KDM4ELMNATP53SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL18555517 0.84 KDM4E (0.54) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL29391170 0.84 KDM4E (0.78) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL18745786 0.84 KDM4E (0.54) KDM4ELMNATP53SMN1; SMN2L3MBTL1

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-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
EP-2767534-A1 NEW BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IN WHICH SAID DERIVATIVE IS USED Hodogaya Chemical Co., Ltd. (JP) 2014-08-20 EP disclosed