SCHEMBL28911367

SCHEMBL28911367

CN(C)N=Nc1cccc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
NOS1 P29475 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10612767 0.85 RAB9A (0.51) MAPTNPC1RAB9APOLBMEN1
SCHEMBL971831 0.85 RAB9A (0.51) MAPTNPC1RAB9APOLBMEN1
SCHEMBL28617157 0.84 PARP1 (0.57) PARP1MAPTNPC1RAB9APOLB
SCHEMBL14502169 0.82 PARP1 (0.41) PARP1MAPTNPC1RAB9APOLB
SCHEMBL38655926 0.82 MAPT (0.45) MAPTNPC1RAB9APOLBMEN1
SCHEMBL28553475 0.81 RAB9A (0.49) MAPTNPC1RAB9APOLBTSHR
SCHEMBL2472953 0.78 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2472954 0.78 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1565391 0.74 PARP1 (0.55) PARP1MAPTPOLBMEN1KMT2A
SCHEMBL29551821 0.74 PARP1 (0.55) PARP1MAPTPOLBMEN1KMT2A

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed