SCHEMBL17691998

SCHEMBL17691998

c1cc(-c2ccc3c(ccc4cc(-c5cccc6ncccc56)c5ccccc5c43)c2)c2cccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.57
ACVR1 Q04771 7/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MCL1 Q07820 1/20 0.42
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.38
CREBBP Q92793 1/20 0.38
MET P08581 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL17692018 0.87 ERN1 (0.50) ERN1ACVR1CA12CA1CA2
SCHEMBL17691828 0.86 ERN1 (0.67) ERN1ACVR1CA12CA1CA2
SCHEMBL17691988 0.82 CCR1 (0.42) ERN1CYP3A4NPC1POLBRAB9A
SCHEMBL17692020 0.81 POLB (0.54) ERN1MCL1CYP3A4NPC1POLB
SCHEMBL17691936 0.78 ERN1 (0.56) ERN1ACVR1CA12CA1CA2
SCHEMBL17343932 0.78 ACVR1 (0.61) ERN1ACVR1CA12CA1CA2
SCHEMBL17229025 0.78 ACVR1 (0.61) ERN1ACVR1CA12CA1CA2
SCHEMBL16483641 0.77 CA12 (0.54) ERN1ACVR1CA12CA1CA2
SCHEMBL17691881 0.77 ERN1 (0.58) ERN1ACVR1CA12CA1CA2
SCHEMBL17692021 0.77 ERN1 (0.41) ERN1ACVR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed