SCHEMBL28623536

SCHEMBL28623536

CCN(CC)CC(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 2/20 0.41
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7559265 0.81 KMT2A (0.50) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL21597994 0.76 KMT2A (0.51) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL21597992 0.76 KMT2A (0.51) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL21597995 0.76 KMT2A (0.51) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL7560340 0.76 KMT2A (0.51) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL7555796 0.75 ATM (0.50) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL19719097 0.74 KMT2A (0.44) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL5731331 0.73 ATM (0.52) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL5730818 0.72 L3MBTL1 (0.50) KMT2AMEN1USP2PKML3MBTL1
SCHEMBL7837312 0.72 ATM (0.50) KMT2AMEN1USP2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575914-B Application of fluorescent probe for detecting N-acetyltransferase 2 大连医科大学 2021-07-16 CN claimed
CN-109575914-B Application of fluorescent probe for detecting N-acetyltransferase 2 大连医科大学 2021-07-16 CN disclosed