SCHEMBL7655866

SCHEMBL7655866

CC(CO)(CO)NCc1cncc(CNC(C)(CO)CO)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDCD1 Q15116 2/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ LATS1 O95835 1/20 0.30
▸ LATS2 Q9NRM7 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
SCHEMBL7663602 0.80 HTT (0.46) HTTPDCD1CD274
SCHEMBL7107275 0.77 LATS1 (0.33) SLC2A1LATS1LATS2
SCHEMBL6132599 0.72 HTT (0.50) HTTKMT2ASMN1; SMN2
SCHEMBL7104686 0.72 CYP1A2 (0.33) CD274
SCHEMBL7656428 0.72 HTT (0.37) HTTKMT2APDCD1CD274
SCHEMBL17886903 0.69 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL21278561 0.68 CYP2A6 (0.41) CYP11B1CYP11B2
SCHEMBL10682965 0.68 SLC2A1 (0.40) HTTKMT2APDCD1CD274SLC2A1
SCHEMBL7655472 0.68 RIPK1 (0.32) KMT2A
Hydrochloric Acid SCHEMBL10679660 0.67 HTT (0.41) HTTKMT2APDCD1CD274SLC2A1

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
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
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