SCHEMBL16600359

SCHEMBL16600359

O=C(O)n1nnc2c(I)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.39
MGAM O43451 8/20 0.39
AMY1A P0DUB6 8/20 0.39
SI P14410 8/20 0.39
MGAM2 Q2M2H8 8/20 0.39
KMT2A Q03164 3/20 0.39
F2 P00734 2/20 0.39
HPGD P15428 1/20 0.39
SLC9A1 P19634 1/20 0.39
KCNMA1 Q12791 1/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
F12 P00748 3/20 0.33
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL9617481 0.79 KDM4E (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL7636077 0.76 GAA (0.36) GAAMGAMAMY1ASIMGAM2
SCHEMBL2113290 0.74 MAPK1 (0.48) DGAT1KDM4EMAPT
SCHEMBL451898 0.72 GAA (0.37) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.71 GAA (0.71) GAAMGAMAMY1ASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.69 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL8907627 0.68 KCNMA1 (0.45) GAAMGAMAMY1ASIMGAM2
Malonic Acid SCHEMBL8211367 0.64 GAA (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL4310543 0.64 KDM4E (0.39) GAAMGAMAMY1ASIMGAM2
SCHEMBL9952327 0.64 ELANE (0.45) F2KDM4E

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-3049390-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044163-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed