SCHEMBL6260367

SCHEMBL6260367

O=C(O)c1ccc2ncncc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGAM O43451 1/20 0.47
KDM4E B2RXH2 9/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
P4HTM Q9NXG6 3/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 3/20 0.38
HCAR2 Q8TDS4 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
ECE1 P42892 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL7566091 0.78 KDM4E (0.45) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL2175934 0.77 MGAM (0.64) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL6317502 0.74 ALOX15 (0.50) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL5564401 0.74 KDM4E (0.56) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL28506641 0.73 MGAM (0.54) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL841536 0.72 ALDH1A1 (0.61) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL2881764 0.72 MGAM (0.58) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL17420276 0.71 KDM4E (0.55) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL17429971 0.71 HPGD (0.51) ALOX15ALDH1A1HPGDHSD17B10MGAM
Hydrochloric Acid SCHEMBL27619882 0.70 ALDH1A1 (0.59) ALOX15ALDH1A1HPGDHSD17B10MGAM

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-2005075477-A1 ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2005-08-18 WO claimed
WO-2005075477-A1 ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2005-08-18 WO disclosed