SCHEMBL5575174

SCHEMBL5575174

O=C(O)c1ccnc(-c2ccccn2)c1C(=O)O.c1ccc(-c2cccnc2-c2ccccn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4C Q9H3R0 2/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
TGFBR1 P36897 4/20 0.43
TGFBR2 P37173 1/20 0.43
DHODH Q02127 1/20 0.39
BLM P54132 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1539363 0.93 KDM4E (0.47) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL87737 0.91 KDM4E (0.50) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL28556199 0.90 KDM4E (0.49) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL8952364 0.90 KDM4E (0.49) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL31663481 0.90 KDM4E (0.49) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL8806415 0.82 KDM4E (0.51) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL28145694 0.81 TGFBR1 (0.41) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL31317750 0.81 KDM4E (0.68) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL2901722 0.81 KDM4E (0.68) KDM4ETDP1KDM4CKDM6BKDM4A
SCHEMBL986761 0.81 KDM4E (0.46) KDM4ETDP1KDM4CKDM6BKDM4A

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-20070092927-A1 Photocatalytic particles with directed and controlled redox activity UNIVERSITY OF DAYTON (US) 2007-04-26 US disclosed
WO-2006138268-A2 PHOTOCATALYTIC PARTICLES WITH DIRECTED AND CONTROLLED REDOX ACTIVITY UNIVERSITY OF DAYTON (US) 2006-12-28 WO disclosed