SCHEMBL29777983

SCHEMBL29777983

O=C(NCCOc1ccccc1C(=O)O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 1/20 0.60
HTT P42858 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
PTK2B Q14289 1/20 0.54
SGMS2 Q8NHU3 2/20 0.50
TGM2 P21980 1/20 0.49
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL30829521 0.89 L3MBTL1 (0.57) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL24627828 0.88 L3MBTL1 (0.62) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3952102 0.88 LMNA (0.67) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL24627820 0.86 L3MBTL1 (0.58) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829589 0.84 LMNA (0.65) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829581 0.83 L3MBTL1 (0.59) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829559 0.83 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL30829554 0.82 LMNA (0.62) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3811564 0.81 L3MBTL1 (0.80) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3952100 0.80 L3MBTL1 (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT

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
WO-2022148879-A1 QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 STICHTING VU (NL) 2022-07-14 WO disclosed