SCHEMBL23314833

SCHEMBL23314833

Nc1ccccc(CC2CCCCCCCCC2)cccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC18A3 Q16572 1/20 0.46
PRMT3 O60678 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
CCR3 P51677 2/20 0.46
NFE2L2 Q16236 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3155441 0.88 NFE2L2 (0.50) MEN1KMT2ANFE2L2
SCHEMBL28374076 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL29013918 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL1119456 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL158625 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL8137977 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL113380 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL6290794 0.87 GBA1 (0.63) GBA1SLC18A3PRMT3CARM1PRMT6
SCHEMBL7438487 0.85 NFE2L2 (0.47) GBA1MEN1KMT2ANFE2L2
Ammonia Solution, Strong SCHEMBL2283846 0.85 GBA1 (0.61) GBA1SLC18A3PRMT3CARM1PRMT6

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
EP-3816153-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2021-05-05 EP disclosed