Pyrimidine

Pyrimidine

SCHEMBL29096576

c1ccc2c(c1)ccc1occc12.c1cncnc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
FTO Q9C0B1 1/20 0.39
HPRT1 P00492 1/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
NFKB1 P19838 2/20 0.38
HNF4A P41235 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 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
Pyridine SCHEMBL28575847 0.90 HSD17B10 (0.41) HSD17B10TDP1ALDH1A1CYP2A6TSHR
Pyrazine SCHEMBL29129778 0.89 TDP1 (0.44) HSD17B10TDP1ALDH1A1CYP2A6TSHR
SCHEMBL30716378 0.87 ALDH1A1 (0.55) HSD17B10TDP1ALDH1A1CYP2A6TSHR
SCHEMBL420462 0.87 ALDH1A1 (0.55) HSD17B10TDP1ALDH1A1CYP2A6TSHR
SCHEMBL27810763 0.85 ALDH1A1 (0.52) HSD17B10TDP1ALDH1A1CYP2A6TSHR
SCHEMBL31275223 0.83 HPRT1 (0.58) HSD17B10TDP1ALDH1A1CYP2A6TSHR
SCHEMBL6237203 0.83 HPRT1 (0.58) HSD17B10TDP1ALDH1A1CYP2A6TSHR
Phenanthrene SCHEMBL28476619 0.81 CYP2A6 (0.63) HSD17B10TDP1ALDH1A1CYP2A6TSHR
Trimethylammonium SCHEMBL27707686 0.80 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1CYP2A6TSHR
Furan SCHEMBL27938204 0.80 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1CYP2A6TSHR

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
CN-118119200-A Light emitting device 株式会社半导体能源研究所 2024-05-31 CN disclosed
CN-118119201-A Light emitting device 株式会社半导体能源研究所 2024-05-31 CN disclosed
CN-116981325-A Method for manufacturing organic EL device 株式会社半导体能源研究所 2023-10-31 CN disclosed