SCHEMBL23823729

SCHEMBL23823729

c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)ccc6c45)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
AHR P35869 1/20 0.37
BACE1 P56817 1/20 0.37
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ATM Q13315 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL24217265 0.97 HCRTR1 (0.39) HCRTR1MMP12MMP13AHRBACE1
SCHEMBL22763864 0.97 HCRTR1 (0.39) HCRTR1MMP12MMP13AHRBACE1
SCHEMBL23913842 0.97 HCRTR1 (0.41) HCRTR1MMP12MMP13AHRBACE1
SCHEMBL23913798 0.97 HCRTR1 (0.41) HCRTR1MMP12MMP13AHRBACE1
SCHEMBL24217131 0.97 MMP12 (0.40) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL23821561 0.97 MMP12 (0.40) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL23822035 0.97 MMP12 (0.40) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL24216808 0.97 MMP12 (0.40) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL23821653 0.97 MMP12 (0.40) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL21148561 0.97 HCRTR1 (0.41) HCRTR1MMP12MMP13AHRBACE1

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
WO-2021180625-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2021-09-16 WO disclosed