SCHEMBL7484452

SCHEMBL7484452

N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 1.00
PRSS1 P07477 7/20 1.00
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FURIN P09958 1/20 0.46
F2 P00734 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7475225 0.90 F10 (1.00) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7475473 0.90 F10 (1.00) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7471700 0.89 F10 (1.00) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7476367 0.87 F10 (0.83) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7479884 0.87 F10 (1.00) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7477445 0.83 F10 (0.71) F10PRSS1LMNAMAPTHTT
SCHEMBL7475462 0.83 F10 (0.81) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7479235 0.79 F10 (0.70) F10PRSS1LMNAALDH1A1MAPT
SCHEMBL7484460 0.77 F10 (0.62) F10PRSS1LMNAMAPTMEN1
SCHEMBL5165467 0.75 F10 (0.68) F10PRSS1LMNAALDH1A1MAPT

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-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed