SCHEMBL7656067

SCHEMBL7656067

OCC(O)C(O)COCc1cncc(COCC(O)C(O)CO)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
KMT2A Q03164 1/20 0.35
CA1 P00915 4/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL7654404 0.84 CA1 (0.40) KMT2ACA1CA2CA7CA9
SCHEMBL7654006 0.81 CA1 (0.30) CA1CA2CA7CA9
SCHEMBL7108473 0.80
SCHEMBL7652946 0.75 TSHR (0.38) TACR1KMT2A
SCHEMBL7107688 0.75
SCHEMBL4169644 0.74 KMT2A (0.58) TACR1KMT2ACA1CA2CA7
SCHEMBL7107292 0.74 KMT2A (0.30) KMT2A
SCHEMBL9725029 0.74 KMT2A (0.58) TACR1KMT2ACA1CA2CA7
SCHEMBL13595511 0.74 KMT2A (0.58) TACR1KMT2ACA1CA2CA7
SCHEMBL7650161 0.73 CA1 (0.35) TACR1KMT2ACA1CA2CA7

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