SCHEMBL31144992

SCHEMBL31144992

c1coc(CNc2ccc(NCc3ccco3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.50
FYN P06241 4/20 0.49
SHMT2 P34897 1/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13115771 0.83 ADRA2A (0.55) FYNKDM4EALDH1A1GAALMNA
SCHEMBL10966604 0.77 ALDH1A1 (0.62) KCNH3FYNKDM4EALDH1A1LMNA
SCHEMBL6827809 0.76 SMN1; SMN2 (0.46) KCNH3FYNKDM4EALDH1A1LMNA
SCHEMBL23362392 0.74 HTT (0.48) KCNH3FYNKDM4EALDH1A1LMNA
SCHEMBL2805209 0.73 ALDH1A1 (0.68) KCNH3KDM4EALDH1A1GAALMNA
SCHEMBL456092 0.73 GAA (0.58) KCNH3SHMT2KDM4EALDH1A1GAA
SCHEMBL10657204 0.73 ALDH1A1 (0.60) KCNH3SHMT2KDM4EALDH1A1GAA
SCHEMBL11792458 0.73 SMN1; SMN2 (0.59) KCNH3SHMT2KDM4EALDH1A1GAA
SCHEMBL5945003 0.72 KDM4E (0.47) KCNH3SHMT2KDM4EALDH1A1GAA
SCHEMBL22191568 0.71 KCNH3 (0.51) KCNH3KDM4EALDH1A1LMNAMAPK1

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
EP-4687881-A2 HETEROARYL ANTIDEGRADANTS Flexsys IP Holdings, LLC (US) 2026-02-11 EP disclosed
WO-2024206786-A2 HETEROARYL ANTIDEGRADANTS FLEXSYS AMERICA L.P. (US) 2024-10-03 WO disclosed