SCHEMBL7299756

SCHEMBL7299756

N=C(N)Nc1ccc(C(=O)Nc2ccc3c(c2)C=C(CC(=O)O)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 0.47
MCHR1 Q99705 5/20 0.45
PLAU P00749 1/20 0.45
CYP26A1 O43174 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
NPC1 O15118 2/20 0.43
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HPSE Q9Y251 1/20 0.43
TMPRSS2 O15393 1/20 0.43
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7306559 0.92 ITGB3 (0.55) ITGB3ITGA2BMCHR1PLAUCYP26A1
SCHEMBL7299057 0.89 ITGB3 (0.54) ITGB3ITGA2BPLAU
SCHEMBL7307859 0.85 CYP26A1 (0.50) MCHR1PLAUCYP26A1CYP26B1NPC1
SCHEMBL7301801 0.81 PLAU (0.48) ITGB3ITGA2BMCHR1PLAUNPC1
SCHEMBL7309377 0.79 PLAU (0.47) ITGB3ITGA2BMCHR1PLAUNPC1
SCHEMBL7305850 0.78 PLAU (0.47) ITGB3ITGA2BMCHR1PLAUNPC1
SCHEMBL7308827 0.76 LMNA (0.47) ITGB3ITGA2BMCHR1PLAUSMN1; SMN2
SCHEMBL24891830 0.73 KMT2A (0.64) PLAUNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7307693 0.72 ITGB3 (0.79) ITGB3ITGA2BPLAUSMN1; SMN2TMPRSS2
SCHEMBL7300021 0.72 ITGB3 (0.86) ITGB3ITGA2BMCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed