SCHEMBL19185482

SCHEMBL19185482

c1ccc(N(c2ccccc2)c2ccc(-c3ccccn3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
P4HTM Q9NXG6 3/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
TP53 P04637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50

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
SCHEMBL12249744 0.92 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27821012 0.88 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16485343 0.81 HPGDS (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15421297 0.81 CYP11B1 (0.50) KDM4ECYP1A2L3MBTL1TDP1ALDH1A1
SCHEMBL21012595 0.81 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6356563 0.81 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17955077 0.81 KDM4E (0.60) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15046367 0.80 ALDH1A1 (0.39) KDM4ELMNACYP1A2METAP1L3MBTL1
SCHEMBL5102763 0.79 CYP2A6 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20427797 0.78 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8

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 2 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