SCHEMBL28129202

SCHEMBL28129202

CCCCc1ncccc1C.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SSTR4 P31391 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
CXCR4 P61073 3/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8582607 0.93 L3MBTL1 (0.43) L3MBTL1TDP1CYP2A6CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28841614 0.91 L3MBTL1 (0.42) L3MBTL1TDP1CYP2A6CYP3A4CYP2D6
Bromide SCHEMBL28285568 0.91 L3MBTL1 (0.42) L3MBTL1TDP1CYP2A6CYP3A4CYP2D6
SCHEMBL28119974 0.90 L3MBTL1 (0.39) L3MBTL1TDP1CYP2A6CYP3A4CYP2D6
SCHEMBL29095301 0.89 NOS2 (0.39) CYP2A6CYP3A4CYP2D6CYP2C19NOS3
SCHEMBL15856910 0.87 L3MBTL1 (0.50) L3MBTL1TDP1CYP2A6CYP3A4CYP2D6
SCHEMBL29148471 0.86 TDP1 (0.49) L3MBTL1TDP1CYP2A6NOS3NOS1
SCHEMBL27876571 0.86 TDP1 (0.49) L3MBTL1TDP1CYP2A6NOS3NOS1
SCHEMBL6839265 0.86 TDP1 (0.49) L3MBTL1TDP1CYP2A6NOS3NOS1
SCHEMBL26464914 0.86 TDP1 (0.49) L3MBTL1TDP1CYP2A6NOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106694007-B A kind of single dispersion metal atom/graphene composite catalyst and its preparation method and application 中国科学院山西煤炭化学研究所 2019-09-10 CN claimed
CN-106654300-B A kind of electrochemistry swelling graphite prepares single dispersion metal atom/graphene composite material method 中国科学院山西煤炭化学研究所 2019-06-25 CN claimed
CN-106694007-A Monodisperse metal atom/graphene composite catalyst and preparation method and application thereof 中国科学院山西煤炭化学研究所 2017-05-24 CN claimed
CN-106654300-A Method for preparing monodisperse metal atom/graphene composite material employing electrochemical dissolved graphite 中国科学院山西煤炭化学研究所 2017-05-10 CN claimed
CN-105088371-B It is a kind of can high drafting melt-spun aliphatic polyamide fiber preparation method 河南工程学院 2017-11-03 CN disclosed