Sugi Predict

Sugi Predict / Compounds / SCHEMBL28897328

SCHEMBL28897328

SCHEMBL28897328

CCCCC(C)(C#N)C(=O)ON

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FDPS P14324 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL28442057 0.89 LMNA (0.36) MEN1KMT2ALMNAHSD17B10
SCHEMBL8685421 0.84 KMT2A (0.36) MEN1KMT2ALMNACTSSCTSK
SCHEMBL9406425 0.82 MEN1 (0.47) MEN1KMT2ALMNAHSD17B10
SCHEMBL28449852 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL8685418 0.77 MAPT (0.44) MEN1KMT2AFDPSLMNA
SCHEMBL8742654 0.77 FDPS (0.32) FDPS
SCHEMBL8742495 0.77 CTSS (0.36) MEN1KMT2AFDPSHSD17B10CTSS
SCHEMBL2641565 0.77 CTSS (0.36) MEN1KMT2AFDPSHSD17B10CTSS
SCHEMBL9240632 0.76 ALDH1A1 (0.37) FDPS
SCHEMBL8657187 0.75 FDPS (0.42) MEN1KMT2AFDPSHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041330-B Environment-friendly preparation method of istradefylline 新发药业有限公司 2020-08-11 — — CN claimed
CN-110041330-B Environment-friendly preparation method of istradefylline 新发药业有限公司 2020-08-11 — — CN disclosed