SCHEMBL22679274

SCHEMBL22679274

N#Cc1cccc(-c2ccc3c(c2)c2c4ccccc4cc4c5ccccc5n3c42)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
ALDH1A3 P47895 1/20 0.39
MAP4K4 O95819 1/20 0.38
ADORA2A P29274 1/20 0.38
GRM5 P41594 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PGR P06401 1/20 0.36
CYP1A2 P05177 7/20 0.36
CYP3A4 P08684 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
CYP2C19 P33261 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2D6 P10635 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 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
SCHEMBL21710663 0.95 ALDH1A3 (0.39) ENPP3ALDH1A3MAP4K4ADORA2ACA1
SCHEMBL22858126 0.94 ENPP3 (0.35) ENPP3ALDH1A3MAP4K4ADORA2AGRM5
SCHEMBL21717866 0.90 ENPP3 (0.40) ENPP3ALDH1A3MAP4K4CA1CA2
SCHEMBL21718127 0.87 ENPP3 (0.46) ENPP3CA1CA2ALDH1A1MAPK1
SCHEMBL21717404 0.85 ENPP3 (0.38) ENPP3ALDH1A3MAP4K4CA1CA2
SCHEMBL21717832 0.85 TSPO (0.39) HSD17B10TSHRKDM4E
SCHEMBL22858283 0.85 TSPO (0.40) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL21717382 0.85 TSPO (0.40) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL21717347 0.83 MAP4K4 (0.43) ALDH1A3MAP4K4ADORA2AGRM5PGR
SCHEMBL22679437 0.83 MAP4K4 (0.42) ALDH1A3MAP4K4ADORA2AGRM5CYP1A2

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-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed