SCHEMBL9987747

SCHEMBL9987747

O=C(c1cc(O)cc(I)c1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.57
KDM4E B2RXH2 1/20 0.53
HPGD P15428 13/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD11B1 P28845 1/20 0.47
SERPINE1 P05121 1/20 0.47
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.42
MLYCD O95822 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3662599 0.85 MGLL (0.53) MGLLHPGDSERPINE1TSHR
SCHEMBL12548117 0.81 HPGD (0.74) KDM4EHPGDALDH1A1HSD11B1GAA
SCHEMBL7909422 0.81 SMN1; SMN2 (0.53) KDM4EHPGDALDH1A1HSD11B1SERPINE1
SCHEMBL12547696 0.77 SMN1; SMN2 (0.57) MGLLKDM4EHPGDALDH1A1HSD11B1
SCHEMBL12547973 0.77 HPGD (0.69) KDM4EHPGDALDH1A1HSD11B1SERPINE1
SCHEMBL7895741 0.77 HPGD (0.50) KDM4EHPGDALDH1A1HSD11B1GAA
SCHEMBL1947109 0.75 HPGD (0.65) MGLLHPGDALDH1A1GAASMN1; SMN2
SCHEMBL7906862 0.74 HPGD (0.66) MGLLHPGDALDH1A1GAASMN1; SMN2
SCHEMBL1424454 0.73 HPGD (0.76) MGLLKDM4EHPGDALDH1A1MAPK1
SCHEMBL2644377 0.73 HPGD (0.67) MGLLHPGDALDH1A1GAASMN1; SMN2

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
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed