SCHEMBL22706237

SCHEMBL22706237

Cc1nc2cccc(-c3c4cccc(-c5nc6ccccc6n5C)c4cc4c(-c5nc6ccccc6n5C)cccc34)c2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
TLR9 Q9NR96 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.38

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
SCHEMBL22707775 0.85 MEN1 (0.48) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22707103 0.83 MAPK1 (0.45) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22705796 0.80 KDM4E (0.48) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22706987 0.80 KDM4E (0.48) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL22706858 0.78 RECQL (0.50) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22706234 0.77 SMN1; SMN2 (0.42) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL16692197 0.77 MEN1 (0.57) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22707005 0.76 RECQL (0.56) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22705795 0.76 RECQL (0.52) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL22707259 0.75 HSD17B10 (0.39) MAPK1HTTMEN1KMT2AALDH1A1

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed