SCHEMBL28586359

SCHEMBL28586359

CC(Cn1cnc2cncnc21)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.52
LTA4H P09960 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FYN P06241 4/20 0.41
CYP1A2 P05177 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HBB P68871 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
APAF1 O14727 1/20 0.38
SRC P12931 2/20 0.37
USP7 Q93009 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL10602614 0.87 FDPS (0.56) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL13044680 0.81 FDPS (0.61) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL28153339 0.78 FDPS (0.62) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL28759589 0.78 FDPS (0.58) FDPSLTA4HHDAC1HDAC6CYP1A2
Hydrochloric Acid SCHEMBL28485022 0.77 FDPS (0.61) FDPSLTA4HHDAC1HDAC6ALDH1A1
9-Benzyl-9H-Purine SCHEMBL434620 0.75 HDAC1 (0.61) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL10571886 0.74 KMT2A (0.50) FDPSLTA4HALDH1A1TSHRLMNA
SCHEMBL6946794 0.72 LTA4H (0.64) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL29941724 0.72 FDPS (0.54) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL5062453 0.72 FDPS (0.54) FDPSLTA4HHDAC1HDAC6CYP1A2

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
CN-113105446-B Preparation method of carbon-nucleoside compound 南京方生和医药科技有限公司 2022-11-11 CN disclosed
CN-113105446-A Preparation method of carbon-nucleoside compound 南京方生和医药科技有限公司 2021-07-13 CN disclosed