SCHEMBL30719587

SCHEMBL30719587

Brc1ccccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.50
CYP2A13 Q16696 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL136220 1.00 LMNA (0.52) LMNAMAPTCYP2A13KMT2AMEN1
SCHEMBL28235242 0.84 MGLL (0.46) LMNAMAPTKMT2AMEN1ALOX15
SCHEMBL27926749 0.84 MGLL (0.46) LMNAMAPTKMT2AMEN1ALOX15
SCHEMBL9424119 0.84 LMNA (0.62) LMNAMAPTKMT2AMEN1NPC1
SCHEMBL22053016 0.81 ALDH1A1 (0.51) LMNAMAPTCYP2A13KMT2AMEN1
SCHEMBL4772127 0.81 MAPT (0.49) LMNAMAPTCYP2A13KMT2AMEN1
SCHEMBL29639090 0.81 HTR6 (0.51) LMNAMAPTCYP2A13KMT2AMEN1
SCHEMBL570340 0.80 KEAP1 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3975556 0.80 KEAP1 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL30263414 0.80 KEAP1 (0.48) MAPTKMT2AMEN1NPC1RAB9A

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-114835758-B Nitrogen-containing heterocyclic phosphine palladium sulfonate catalyst, ligand and application thereof 中国科学技术大学 2024-02-23 CN disclosed