SCHEMBL20172209

SCHEMBL20172209

Nc1cccc2c1N(c1ccccc1)c1ncccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.36
PABPC1 P11940 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL20308230 0.82 KDM4E (0.33) KDM4ESIRT1
SCHEMBL20172208 0.82 ADRA2A (0.35) HSPA1APABPC1GRIN2DGRIN3BGRIN1
SCHEMBL17489708 0.80 ADRA2A (0.36) HSPA1APABPC1POLBKDM4EADRA2A
SCHEMBL17489961 0.76 HSPA1A (0.40) HSPA1APABPC1KDM4EADRA2AADRA2B
SCHEMBL20172378 0.76 KDM4E (0.38) POLBKDM4EADRA2AADRA2BADRA2C
SCHEMBL20172210 0.76 NPC1 (0.35) POLBKDM4EADRA2AADRA2BADRA2C
SCHEMBL17490040 0.74 CYP1A2 (0.34) HSPA1APABPC1POLBADRA2AADRA2B
SCHEMBL17489712 0.74 CA12 (0.36) HSPA1APABPC1POLBADRA2AADRA2B
SCHEMBL28879583 0.71 P2RX4 (0.45) HSPA1APABPC1KDM4EMAPTUSP2
SCHEMBL20308231 0.70 CDK8 (0.35) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed