SCHEMBL7652930

SCHEMBL7652930

O=C(NCC(O)CO)c1cncc(C(=O)NCC(O)CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.48
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.43
MAP2K1 Q02750 3/20 0.43
MAP2K2 P36507 1/20 0.43
PRKCZ Q05513 1/20 0.43
IARS2 Q9NSE4 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
ACSS2 Q9NR19 2/20 0.39

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
SCHEMBL7658847 0.85 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL7661579 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL5909197 0.81 THRB (0.61) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL28309218 0.81 THRB (0.71) ALDH1A1HSD17B10THRBKMT2AMEN1
SCHEMBL21211563 0.81 GAA (0.64) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL3400892 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL22640849 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDICAM1
SCHEMBL22821573 0.79 HPGD (0.48) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL20329603 0.79 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL7108469 0.79 CNR2 (0.41) KDM4EALDH1A1HPGDICAM1SELE

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