SCHEMBL22802258

SCHEMBL22802258

c1ccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
AHR P35869 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
KDM1A O60341 1/20 0.30
LMNA P02545 2/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL22802114 1.00 HCRTR1 (0.33) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL22802120 0.99 HCRTR1 (0.33) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL22802122 0.98 HCRTR1 (0.35) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL22802121 0.98 HCRTR1 (0.35) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL22800791 0.95 KDM4E (0.33) HCRTR1MMP12MMP13KDM4EALDH1A1
SCHEMBL22802113 0.94 KDM4E (0.33) HCRTR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL22800812 0.93 HCRTR1 (0.34) HCRTR1MMP12MMP13KDM4EALDH1A1
SCHEMBL15763820 0.91 TSPO (0.35) HCRTR1MMP12MMP13AHRPLA2G2A
SCHEMBL25985111 0.90 KDM1A (0.32) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL22800239 0.89 MAPT (0.35) KDM4EALDH1A1MAPTTSHRHPGD

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-11569455-B2 Compound for organic optoelectronic device, organic optoelectronic device, and display device SAMSUNG SDI CO., LTD. (KR) 2023-01-31 US disclosed
US-20200395551-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-12-17 US disclosed