SCHEMBL20172208

SCHEMBL20172208

Nc1cccc2c1Oc1cccnc1N2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HSPA1A P0DMV8 1/20 0.33
PABPC1 P11940 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL20172209 0.82 HSPA1A (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL17489963 0.81 HSPA1A (0.39) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172216 0.81 ADRA2A (0.37) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172086 0.76 CYP1A2 (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172210 0.76 NPC1 (0.35) ADRA2AADRA2BADRA2CPOLBKDM4E
SCHEMBL20172116 0.76 CYP1A2 (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172378 0.76 KDM4E (0.38) ADRA2AADRA2BADRA2CPOLBKDM4E
SCHEMBL17489708 0.74 ADRA2A (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20308230 0.70 KDM4E (0.33) KDM4E
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