SCHEMBL7104658

SCHEMBL7104658

O=C(NCC(O)C(O)CO)c1cnc(C(=O)NCC(O)C(O)CO)cn1.O=C(NCC(O)C(O)CO)c1cncc(C(=O)NCC(O)C(O)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 3/20 0.35
CNR1 P21554 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33

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
SCHEMBL7103645 0.94 SCN10A (0.35) SMN1; SMN2HPGDCNR1LMNAKDM4E
SCHEMBL7110167 0.91 ALDH1A1 (0.38) SMN1; SMN2HPGDCYP1A2POLBCYP2C9
SCHEMBL7109193 0.87 ICAM1 (0.40) SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL7108469 0.80 CNR2 (0.41) HPGDLMNACYP2C19KDM4EALDH1A1
SCHEMBL7109870 0.79 CNR1 (0.44) CNR1KDM4ERAB9APSMB11PSMA7
SCHEMBL7654531 0.78 LMNA (0.47) HPGDLMNAPOLBKDM4EALDH1A1
SCHEMBL7108548 0.78 SCN10A (0.37) SMN1; SMN2HPGDCNR1LMNAKDM4E
SCHEMBL7103718 0.78 CNR1 (0.52) SMN1; SMN2HPGDCNR1LMNAKDM4E
SCHEMBL7663932 0.77 ALDH1A1 (0.44) SMN1; SMN2LMNAPOLBKDM4ERAB9A
SCHEMBL8061648 0.76 ALDH1A1 (0.42) SMN1; SMN2LMNAPOLBKDM4ERAB9A

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
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP disclosed