SCHEMBL29865573

SCHEMBL29865573

c1ccc2c(c1)nnc1ccsc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
HTT P42858 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LCK P06239 1/20 0.35
MAP2K3 P46734 1/20 0.35
MAP2K6 P52564 1/20 0.35
BTK Q06187 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
NEK10 Q6ZWH5 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL29046404 0.74 DYRK1A (0.35) ALDH1A1LMNAAXLMKNK1MKNK2
Benzonaphthyridine SCHEMBL30897319 0.72 GPR3 (1.00) GPR3HTTKDM4EALDH1A1LMNA
Benzonaphthyridine SCHEMBL51197 0.72 GPR3 (1.00) GPR3HTTKDM4EALDH1A1LMNA
Benzonaphthyridine SCHEMBL29600756 0.72 GPR3 (1.00) GPR3HTTKDM4EALDH1A1LMNA
SCHEMBL8598227 0.69 KDM4E (0.53) GPR3KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL3277153 0.69 KDM4E (0.53) GPR3KDM4EALDH1A1LMNAAXL
SCHEMBL3278516 0.69 GPR3 (0.53) GPR3HTTRXFP1KDM4EALDH1A1
SCHEMBL27777002 0.68 TLR8 (0.50) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL1451457 0.68 MAOA (0.45) HTTRXFP1KDM4EALDH1A1AXL
SCHEMBL10169211 0.68 GPR3 (0.57) GPR3HTTKDM4EALDH1A1MAPT

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
CN-115066427-A Compound, organic electroluminescent device and display device SK株式会社 2022-09-16 CN disclosed