SCHEMBL22705228

SCHEMBL22705228

N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)nc(-n2c3ccccc3c3cc(C#N)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ENPP3 O14638 1/20 0.40
RORC P51449 7/20 0.38
CDC7 O00311 2/20 0.35
CDK2 P24941 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL13912328 0.92 PTGER4 (0.46) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL22705193 0.92 KDM4E (0.40) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17424701 0.91 PTGER4 (0.44) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17424700 0.91 PTGER4 (0.44) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17424707 0.91 PTGER4 (0.44) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17721851 0.89 PTGER4 (0.43) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17721757 0.89 PTGER4 (0.43) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL26940636 0.88 KDM4E (0.40) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL17721765 0.86 ADORA2A (0.42) PTGER4KDM4EALDH1A1
SCHEMBL17721849 0.86 ADORA2A (0.42) PTGER4KDM4EALDH1A1

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
US-20200373509-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-26 US disclosed