SCHEMBL30987486

SCHEMBL30987486

CC1CCN(OC[C@H](O)CN2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.45
CHRNA7 P36544 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL30987489 1.00 KMT2A (0.52) KMT2AMEN1TSHRNPSR1ATM
SCHEMBL30987497 1.00 KMT2A (0.52) KMT2AMEN1TSHRNPSR1ATM
SCHEMBL30987494 0.88 KMT2A (0.56) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL30987491 0.86 KMT2A (0.51) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL30987499 0.85 KMT2A (0.46) KMT2AMEN1TSHRATMHTT
SCHEMBL30987492 0.83 KMT2A (0.48) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL30987500 0.80 HTT (0.43) KMT2AMEN1TSHRATMHTT
SCHEMBL13013046 0.75 KMT2A (0.64) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL24319645 0.72 KMT2A (0.56) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL68147 0.72 KMT2A (0.64) KMT2AMEN1TSHRATMHTT

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-118139842-A Oximes and their use in the treatment of GBA related diseases 泽拉丹麦有限公司 2024-06-04 CN disclosed