SCHEMBL8718388

SCHEMBL8718388

N=C(N)c1cnc2oc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
F2 P00734 6/20 0.44
PLG P00747 5/20 0.44
PLAU P00749 5/20 0.44
KLKB1 P03952 5/20 0.44
PRSS1 P07477 5/20 0.44
PLAT P00750 4/20 0.44

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
SCHEMBL8712603 0.88 NPC1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8712543 0.87 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL8717795 0.85 F2 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2ITGB3
SCHEMBL8716123 0.83 ITGB3 (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8712984 0.78 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8713417 0.78 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8712928 0.76 CXCR1 (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8903332 0.74 RAB9A (0.41) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL8712449 0.74 RAB9A (0.41) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL8715779 0.74 F2 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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