SCHEMBL16158689

SCHEMBL16158689

CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2Oc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
BACE1 P56817 2/20 0.39
NTSR1 P30989 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27290863 0.96 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27290898 0.95 BACE1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27290933 0.95 BACE1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158657 0.95 NPC1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27290832 0.94 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158681 0.94 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158765 0.93 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158693 0.92 BACE1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158683 0.92 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16158762 0.90 NR1H4 (0.38) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2873666-B1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEMICAL LTD (KR) 2017-09-20 EP disclosed
US-9412954-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-08-09 US disclosed
US-9412954-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-08-09 US disclosed
US-20140299192-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2014-10-09 US disclosed
US-20140299192-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2014-10-09 US disclosed