SCHEMBL7477445

SCHEMBL7477445

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.71
PRSS1 P07477 5/20 0.71
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 2/20 0.53
F2 P00734 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52

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 0.83 F10 (1.00) F10PRSS1KMT2ALMNAMAPT
SCHEMBL7475473 0.83 F10 (1.00) F10PRSS1KMT2ALMNAMAPT
SCHEMBL7484452 0.83 F10 (1.00) F10PRSS1MEN1KMT2ALMNA
SCHEMBL7471700 0.82 F10 (1.00) F10PRSS1KMT2ALMNAMAPT
SCHEMBL6809002 0.81 F10 (0.60) F10PRSS1MAPTNPC1RAB9A
SCHEMBL14132298 0.81 PRSS1 (0.69) F10PRSS1
SCHEMBL7484460 0.81 F10 (0.62) F10PRSS1MEN1KMT2ALMNA
SCHEMBL7479884 0.81 F10 (1.00) F10PRSS1LMNAMAPTSMN1; SMN2
SCHEMBL7476367 0.81 F10 (0.83) F10PRSS1MEN1KMT2ALMNA
SCHEMBL14131787 0.81 PRSS1 (0.62) F10PRSS1

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