SCHEMBL7650161

SCHEMBL7650161

OCC(O)C(O)COCc1ccc(COCC(O)C(O)CO)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 2/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 2/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7657987 0.86 CA1 (0.39) CA1CA2KMT2ACA7CA9
SCHEMBL7656741 0.84 CSF1R (0.33) CA1CA2CA7CA9RAB9A
SCHEMBL7107292 0.83 KMT2A (0.30) KMT2A
SCHEMBL7655274 0.78 NPC1 (0.34) KMT2ARAB9ANPC1POLBUSP2
SCHEMBL7662797 0.75 NPC1 (0.31) RAB9ANPC1POLB
SCHEMBL7108473 0.75
SCHEMBL7656067 0.73 TACR1 (0.36) CA1CA2KMT2ATACR1CA7
SCHEMBL7661217 0.73 KCNH2 (0.39) CA1CA2KMT2ATACR1CA7
SCHEMBL9725029 0.73 KMT2A (0.58) CA1CA2KMT2ATACR1CA7
SCHEMBL13595511 0.73 KMT2A (0.58) CA1CA2KMT2ATACR1CA7

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