SCHEMBL8713417

SCHEMBL8713417

N=C(N)Nc1ccc2oc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 5/20 0.48
TP53 P04637 4/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
ITGB5 P18084 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL8717795 0.88 F2 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8719757 0.86 MAPT (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8716123 0.82 ITGB3 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL11787863 0.81 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8715779 0.80 F2 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8903964 0.79 ITGB3 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8904649 0.78 ITGB3 (0.53) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL8718388 0.78 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7372766 0.77 ITGB3 (0.67) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL8715797 0.77 PIM1 (0.54) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed