SCHEMBL8558893

SCHEMBL8558893

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8557724 0.95 ALOX15 (0.37) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8173121 0.91 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8560284 0.86 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8559254 0.75 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4138235 0.73 TSHR (0.37) SMN1; SMN2
SCHEMBL171399 0.72 MEN1 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20468086 0.72 MEN1 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL18822222 0.72 MEN1 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL7158448 0.72 MEN1 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL13971374 0.72 MEN1 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed