SCHEMBL14040217

SCHEMBL14040217

C/C(=C\C=C/CI)N(c1ccc(N(c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1)c1cccc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.34
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
PAX8 Q06710 2/20 0.33
JAK2 O60674 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.32
GPX4 P36969 1/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
GLA P06280 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
SCHEMBL23656346 0.85 PTGIR (0.34) PTGIRRAB9AALDH1A1NPC1PAX8
SCHEMBL10062047 0.80 HSD17B1 (0.34) PTGIRRAB9AALDH1A1NPC1PAX8
SCHEMBL19061202 0.78 TP53 (0.33) PTGIRRAB9AALDH1A1NPC1PAX8
SCHEMBL21335349 0.78 HSD17B1 (0.33) PTGIR
SCHEMBL21085299 0.74 CYP3A4 (0.32) PTGIRRAB9AALDH1A1NPC1PAX8
SCHEMBL22812841 0.73 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL13720602 0.73 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL10065551 0.73 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL10065627 0.73 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL13844494 0.73 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2

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
EP-1661899-B1 Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2008-10-15 EP disclosed