SCHEMBL31447799

SCHEMBL31447799

O=C(COc1ccccc1)Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
GALR3 O60755 2/20 0.72
STAT3 P40763 1/20 0.72
NOTUM Q6P988 1/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
GAA P10253 2/20 0.69
ALDH1A1 P00352 1/20 0.66
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL4527479 0.91 LMNA (0.83) LMNAGALR3STAT3NOTUMTSHR
SCHEMBL3498895 0.88 LMNA (0.78) LMNANOTUMMAPK1KMT2AMEN1
SCHEMBL31503975 0.88 LMNA (0.78) LMNANOTUMMAPK1KMT2AMEN1
SCHEMBL16198579 0.87 LMNA (0.76) LMNAGALR3STAT3NOTUMKMT2A
SCHEMBL31121893 0.83 NOTUM (1.00) LMNAGALR3NOTUML3MBTL1GAA
SCHEMBL18328448 0.83 KMT2A (0.72) LMNAGALR3STAT3TSHRMAPK1
SCHEMBL5645175 0.82 LMNA (0.69) LMNANOTUMMAPK1KMT2AMEN1
SCHEMBL12202000 0.82 NOTUM (0.76) LMNAGALR3STAT3NOTUMNPC1
SCHEMBL7334463 0.81 LMNA (0.67) LMNAGALR3STAT3NOTUMTSHR
SCHEMBL11439450 0.81 NPC1 (0.71) LMNANOTUMMAPK1KMT2AMEN1

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-119504570-A Benzamide compound, pharmaceutical composition and application 徐州医科大学 2025-02-25 CN disclosed