SCHEMBL8175484

SCHEMBL8175484

N=NC(CCCc1nnc(C(=O)O)s1)(N=N)N=N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLS O94925 12/20 0.32
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27467431 0.75 ALDH1A1 (0.46) GLSSMN1; SMN2
SCHEMBL7371609 0.74 GLS (0.40) GLS
SCHEMBL7369314 0.71 GLS (0.35) GLS
SCHEMBL7020662 0.63 DAO (0.35)
SCHEMBL17967116 0.61 FFAR1 (0.52)
SCHEMBL19793299 0.61 FFAR1 (0.47) GLSSMN1; SMN2
SCHEMBL8840294 0.61 MEN1 (0.47) HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11595879 0.61 GPR35 (0.33)
SCHEMBL19793298 0.60 GLS (0.49) GLSSMN1; SMN2
SCHEMBL31497061 0.58 NPSR1 (0.51) GLSSMN1; 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
US-6153628-A 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-28 US disclosed