SCHEMBL7430798

SCHEMBL7430798

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.76
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
TP53 P04637 2/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
ITGB3 P05106 3/20 0.62
ITGA2B P08514 3/20 0.62
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
PLAT P00750 1/20 0.59
KLKB1 P03952 1/20 0.59
PRSS1 P07477 1/20 0.59
LY96 Q9Y6Y9 1/20 0.58

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
SCHEMBL7344370 0.87 PLAU (1.00) PLAURAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL8460943 0.84 RAB9A (0.75) PLAURAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL3331071 0.79 RAB9A (0.74) PLAURAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL13170480 0.79 NPC1 (0.86) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21468516 0.79 NPC1 (0.68) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29669746 0.78 RAB9A (0.76) PLAURAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL28256407 0.78 RAB9A (0.76) PLAURAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL3783652 0.78 ADRA2A (0.55) PLAURAB9ANPC1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL8994029 0.78 F2 (0.71) PLAURAB9ANPC1F2PLG
SCHEMBL7305449 0.77 ITGB3 (0.92) PLAUITGB3ITGA2BTMPRSS2

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
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP claimed