SCHEMBL28861802

SCHEMBL28861802

NC(=O)NSc1ccccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
ADRA2C P18825 1/20 0.48
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.43
PARP10 Q53GL7 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TSPO P30536 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
SCHEMBL8842551 0.80 HTT (0.51) MEN1KMT2AGAASMN1; SMN2TSHR
SCHEMBL27639739 0.77 PARP10 (0.53) CTNNB1KMT2ASMN1; SMN2TSHRPARP10
SCHEMBL7642520 0.76 HSD17B10 (0.46) MEN1KMT2AGAASMN1; SMN2TSHR
SCHEMBL28016848 0.76 GAA (0.40) L3MBTL1GAA
SCHEMBL3826083 0.76 ADRA2C (0.71) CTNNB1ADRA2CMAPK1MEN1KMT2A
SCHEMBL29757946 0.76 ADRA2C (0.71) CTNNB1ADRA2CMAPK1MEN1KMT2A
SCHEMBL28030648 0.74 MAPT (0.48) MAPK1MEN1KMT2AGAAPKM
SCHEMBL27661025 0.72 MAPT (0.46) MAPK1MEN1KMT2AGAAPKM
SCHEMBL9332916 0.72 TSHR (0.42) L3MBTL1GAASMN1; SMN2TSHRPOLB
SCHEMBL27455333 0.71 BCAT2 (0.47) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA

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-108369222-A Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2018-08-03 CN disclosed