SCHEMBL21741806

SCHEMBL21741806

c1ccc(-c2cc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5c34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
HPGD P15428 6/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL21741868 0.93 KMT2A (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL26385252 0.93 ENPP1 (0.42) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL21741701 0.93 MEN1 (0.42) ENPP3ALDH1A1MAPTHPGDKDM4E
SCHEMBL19802442 0.93 MEN1 (0.44) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL19802166 0.93 MEN1 (0.44) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL21741707 0.93 MEN1 (0.44) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL19802445 0.93 MEN1 (0.44) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL21741659 0.92 KMT2A (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL21741937 0.92 ENPP1 (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL21741694 0.92 MAPT (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD

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
US-11251377-B2 Organic light emitting device LG CHEM, LTD. (KR) 2022-02-15 US disclosed
US-20200058877-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-02-20 US disclosed