SCHEMBL16200517

SCHEMBL16200517

c1ccc(-c2ccc(Nc3ccc(-c4ccccn4)nc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
P4HTM Q9NXG6 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
DOHH Q9BU89 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL12249871 0.86 CYP2A6 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12131243 0.82 HPGDS (0.63) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL30081964 0.82 HPGDS (0.63) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL17465465 0.81 PTPN2 (0.45) HPGDSKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL15158536 0.80 HSD17B10 (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22589209 0.80 ALDH1A1 (0.52) HPGDSCYP1A2HTTALDH1A1HPGD
SCHEMBL21012393 0.80 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
Diphenylamine SCHEMBL28767273 0.80 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27145670 0.79 ATM (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18806861 0.78 KDM4E (0.64) HPGDSKDM4ELMNACCR1CCR5

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-2796448-B1 Material for organic electronic device and organic electronic device using the same LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
EP-2796448-A1 Material for organic electronic device and organic electronic device using the same LG CHEM, LTD. (KR) 2014-10-29 EP disclosed