SCHEMBL20172216

SCHEMBL20172216

Nc1cccc2c1Oc1ncccc1N2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HSPA1A P0DMV8 1/20 0.35
PABPC1 P11940 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
LDHA P00338 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
SCHEMBL17489708 0.82 ADRA2A (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172208 0.81 ADRA2A (0.35) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL17489963 0.77 HSPA1A (0.39) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172086 0.75 CYP1A2 (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL20172116 0.75 CYP1A2 (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1
SCHEMBL17489711 0.75 CDK8 (0.41) ADRA2AADRA2BADRA2CPOLBALDH1A1
SCHEMBL20172215 0.75 ADRA2A (0.35) ADRA2AADRA2BADRA2CPOLBALDH1A1
SCHEMBL21415065 0.70 CDK8 (0.33) ADRA2AADRA2BADRA2CPOLBKDM4E
SCHEMBL20308245 0.69 CDK8 (0.41) POLBLMNAMAPT
SCHEMBL20172209 0.67 HSPA1A (0.36) ADRA2AADRA2BADRA2CHSPA1APABPC1

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