SCHEMBL8173121

SCHEMBL8173121

CCCC(CCCNC(=N)N)O[C]=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
SPHK1 Q9NYA1 3/20 0.30

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
SCHEMBL8560284 0.95 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8558893 0.91 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8557724 0.86 ALOX15 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3035041 0.74 CHRM1 (0.31)
SCHEMBL8559254 0.73 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8109128 0.73 MAPT (0.36)
SCHEMBL276605 0.71 MAPT (0.39)
SCHEMBL22688615 0.70 DPP7 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL146766 0.70
SCHEMBL3034854 0.70 DNM1 (0.35) SMN1; 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-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed